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ZINC Item

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58325709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-acetamido-N-prop-2-ynyl-N-(p-tolylmethyl)thiazole-4-carboxamide 2-acetamido-N-prop-2-ynyl-N-(p-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.90	8.88	-12.94	1	5	0	62	327.409	5	↓ MOL2 SDF SMILES Flexibase

62658504

Analogs

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Popular Name: N-methyl-N-(p-tolylmethyl)thiazole-4-carboxamide N-methyl-N-(p-tolylmethyl)thiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.39	6.95	-10.13	0	3	0	33	246.335	3	↓ MOL2 SDF SMILES Flexibase

62658505

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(3-fluorophenyl)methyl]-N-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	6.34	-12.14	0	3	0	33	250.298	3	↓ MOL2 SDF SMILES Flexibase

62658545

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]thiazole-4-carboxamide N-[(3-fluorophenyl)methyl]thiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.84	3.6	-9.3	1	3	0	42	236.271	3	↓ MOL2 SDF SMILES Flexibase

62659014

Analogs

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Popular Name: N-[(4-nitrophenyl)methyl]thiazole-4-carboxamide N-[(4-nitrophenyl)methyl]thiazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	4.24	-11.64	1	6	0	88	263.278	4	↓ MOL2 SDF SMILES Flexibase

62659025

Analogs

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Popular Name: N-(o-tolylmethyl)thiazole-4-carboxamide N-(o-tolylmethyl)thiazole-4-carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	4.32	-8.72	1	3	0	42	232.308	3	↓ MOL2 SDF SMILES Flexibase

62659049

Analogs

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Popular Name: N-[(1S)-1-(4-cyanophenyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(4-cyanophenyl)ethyl]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	4.76	-11.18	1	4	0	66	257.318	3	↓ MOL2 SDF SMILES Flexibase

62659052

Analogs

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Popular Name: N-[(1R)-1-(4-cyanophenyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(4-cyanophenyl)ethyl]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	4.75	-11.21	1	4	0	66	257.318	3	↓ MOL2 SDF SMILES Flexibase

62659069

Analogs

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Popular Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(3-fluoro-4-methoxy-phenyl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.09	5.65	-14.72	0	4	0	42	280.324	4	↓ MOL2 SDF SMILES Flexibase

62659079

Analogs

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Popular Name: N-[[2-(ethoxymethyl)phenyl]methyl]thiazole-4-carboxamide N-[[2-(ethoxymethyl)phenyl]methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.98	4.37	-9.13	1	4	0	51	276.361	6	↓ MOL2 SDF SMILES Flexibase

62659096

Analogs

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Popular Name: N-[(1R)-1-(p-tolyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(p-tolyl)ethyl]thiazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	5.05	-9.03	1	3	0	42	246.335	3	↓ MOL2 SDF SMILES Flexibase

62659102

Analogs

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Popular Name: N-[(1S)-1-(p-tolyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(p-tolyl)ethyl]thiazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	5.05	-9.03	1	3	0	42	246.335	3	↓ MOL2 SDF SMILES Flexibase

62659104

Analogs

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Popular Name: N-[(1S)-1-(3-methoxyphenyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(3-methoxyphenyl)ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	3.67	-10.63	1	4	0	51	262.334	4	↓ MOL2 SDF SMILES Flexibase

62659108

Analogs

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Popular Name: N-[(1R)-1-(3-methoxyphenyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(3-methoxyphenyl)ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	3.66	-10.62	1	4	0	51	262.334	4	↓ MOL2 SDF SMILES Flexibase

62659111

Analogs

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Popular Name: N-[(1S)-1-(2,6-difluorophenyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(2,6-difluorophenyl)et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	4.51	-11.64	1	3	0	42	268.288	3	↓ MOL2 SDF SMILES Flexibase

62659116

Analogs

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Popular Name: N-[(1R)-1-(2,6-difluorophenyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(2,6-difluorophenyl)et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	4.52	-11.66	1	3	0	42	268.288	3	↓ MOL2 SDF SMILES Flexibase

62659119

Analogs

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Popular Name: N-[(1R)-1-(2,4-dimethylphenyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(2,4-dimethylphenyl)et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	5.55	-9.18	1	3	0	42	260.362	3	↓ MOL2 SDF SMILES Flexibase

62659127

Analogs

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Popular Name: N-[(1S)-1-(2,4-dimethylphenyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(2,4-dimethylphenyl)et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	5.63	-9.19	1	3	0	42	260.362	3	↓ MOL2 SDF SMILES Flexibase

62659192

Analogs

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Popular Name: N-[(1S)-1-(3-nitrophenyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(3-nitrophenyl)ethyl]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	5.09	-13.17	1	6	0	88	277.305	4	↓ MOL2 SDF SMILES Flexibase

62659196

Analogs

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Popular Name: N-[(1R)-1-(3-nitrophenyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(3-nitrophenyl)ethyl]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	5.08	-13.19	1	6	0	88	277.305	4	↓ MOL2 SDF SMILES Flexibase

62659446

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]thiazole-4-carboxamide N-[(3-methoxyphenyl)methyl]thiaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	2.83	-10.31	1	4	0	51	248.307	4	↓ MOL2 SDF SMILES Flexibase

62659482

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(4-chlorophenyl)methyl]-N-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	6.79	-9.4	0	3	0	33	266.753	3	↓ MOL2 SDF SMILES Flexibase

62659486

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(3,4-dimethoxyphenyl)methyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.59	5.48	-13.68	0	5	0	52	292.36	5	↓ MOL2 SDF SMILES Flexibase

62659494

Analogs

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Popular Name: N-[(2,4-dichlorophenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(2,4-dichlorophenyl)methyl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	7.16	-9.49	0	3	0	33	301.198	3	↓ MOL2 SDF SMILES Flexibase

62659497

Analogs

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Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]thiazole-4-carboxamide N-methyl-N-[(4-methylsulfanylphe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.38	7.29	-10.27	0	3	0	33	278.402	4	↓ MOL2 SDF SMILES Flexibase

62659503

Analogs

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Popular Name: N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxamide N-methyl-N-[[4-(trifluoromethyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	7.27	-9.77	0	3	0	33	300.305	4	↓ MOL2 SDF SMILES Flexibase

62659535

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(4-chlorophenyl)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	4.9	-8.54	1	3	0	42	266.753	3	↓ MOL2 SDF SMILES Flexibase

62659539

Analogs

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Popular Name: N-[(1R)-1-(4-chlorophenyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(4-chlorophenyl)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	4.89	-8.52	1	3	0	42	266.753	3	↓ MOL2 SDF SMILES Flexibase

62659544

Analogs

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Popular Name: N-[(3,4-dichlorophenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(3,4-dichlorophenyl)methyl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	7.25	-10.82	0	3	0	33	301.198	3	↓ MOL2 SDF SMILES Flexibase

62659549

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(4-fluorophenyl)methyl]-N-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	6.34	-9.93	0	3	0	33	250.298	3	↓ MOL2 SDF SMILES Flexibase

62659611

Analogs

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Popular Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]thiazole-4-carboxamide N-[[2-(dimethylaminomethyl)pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.46	5.64	-36.15	2	4	1	46	276.385	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.46	4.12	-8.29	1	4	0	45	275.377	5	↓ MOL2 SDF SMILES Flexibase

62659630

Analogs

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Popular Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(2-methoxy-5-methyl-phenyl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.38	7.63	-10.66	0	4	0	42	276.361	4	↓ MOL2 SDF SMILES Flexibase

62659634

Analogs

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Popular Name: N-[[2-(diethylaminomethyl)phenyl]methyl]thiazole-4-carboxamide N-[[2-(diethylaminomethyl)phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	7	-34.23	2	4	1	46	304.439	7	↓ MOL2 SDF SMILES Flexibase

62659698

Analogs

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Popular Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]thiazole-4-carboxamide N-[[4-(2-methylpropanoylamino)ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	3.9	-14.44	2	5	0	71	303.387	5	↓ MOL2 SDF SMILES Flexibase

62659712

Analogs

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Popular Name: N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]thiazole-4-carboxamide N-[[4-(2,2,2-trifluoroethoxy)phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	4.22	-11.17	1	4	0	51	316.304	6	↓ MOL2 SDF SMILES Flexibase

62659757

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(2-methoxyphenyl)methyl]-N-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.95	6.95	-10.75	0	4	0	42	262.334	4	↓ MOL2 SDF SMILES Flexibase

62659759

Analogs

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Popular Name: N-benzyl-N-propyl-thiazole-4-carboxamide N-benzyl-N-propyl-thiazole-4-car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.82	8.39	-9.35	0	3	0	33	260.362	5	↓ MOL2 SDF SMILES Flexibase

62659766

Analogs

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Popular Name: N-[(4-isopropylphenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(4-isopropylphenyl)methyl]-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	8.2	-9.73	0	3	0	33	274.389	4	↓ MOL2 SDF SMILES Flexibase

62659786

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	4.17	-11.59	1	5	0	68	276.317	5	↓ MOL2 SDF SMILES Flexibase

62659821

Analogs

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Popular Name: N-methyl-N-[(1S)-1-phenylethyl]thiazole-4-carboxamide N-methyl-N-[(1S)-1-phenylethyl]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	7.27	-9.96	0	3	0	33	246.335	3	↓ MOL2 SDF SMILES Flexibase

62659823

Analogs

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Popular Name: N-methyl-N-[(1R)-1-phenylethyl]thiazole-4-carboxamide N-methyl-N-[(1R)-1-phenylethyl]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	6.52	-10.29	0	3	0	33	246.335	3	↓ MOL2 SDF SMILES Flexibase

62659850

Analogs

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Popular Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(2,4-dimethylphenyl)methyl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.77	8.11	-10.36	0	3	0	33	260.362	3	↓ MOL2 SDF SMILES Flexibase

62659863

Analogs

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Popular Name: N-[[4-(diethylaminomethyl)phenyl]methyl]thiazole-4-carboxamide N-[[4-(diethylaminomethyl)phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.25	6.79	-41.04	2	4	1	46	304.439	7	↓ MOL2 SDF SMILES Flexibase

62659887

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(4-methoxyphenyl)methyl]-N-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	5.57	-10.83	0	4	0	42	262.334	4	↓ MOL2 SDF SMILES Flexibase

62659918

Analogs

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Popular Name: N-[[4-(trifluoromethoxy)phenyl]methyl]thiazole-4-carboxamide N-[[4-(trifluoromethoxy)phenyl]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	3.32	-8.7	1	4	0	51	302.277	5	↓ MOL2 SDF SMILES Flexibase

62659930

Analogs

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Popular Name: N-[(4-acetamidophenyl)methyl]thiazole-4-carboxamide N-[(4-acetamidophenyl)methyl]thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	2.43	-15.27	2	5	0	71	275.333	4	↓ MOL2 SDF SMILES Flexibase

62660166

Analogs

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Popular Name: N-[(3-fluoro-4-methyl-phenyl)methyl]thiazole-4-carboxamide N-[(3-fluoro-4-methyl-phenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	4.24	-9.41	1	3	0	42	250.298	3	↓ MOL2 SDF SMILES Flexibase

62660270

Analogs

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Popular Name: N-methyl-N-(o-tolylmethyl)thiazole-4-carboxamide N-methyl-N-(o-tolylmethyl)thiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.46	-10.27	0	3	0	33	246.335	3	↓ MOL2 SDF SMILES Flexibase

62660271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(2-fluorophenyl)methyl]-N-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.06	6.31	-13.09	0	3	0	33	250.298	3	↓ MOL2 SDF SMILES Flexibase

62660355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethylphenyl)methyl]-N-methyl-thiazole-4-carboxamide N-[(4-ethylphenyl)methyl]-N-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	7.71	-9.93	0	3	0	33	260.362	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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