UCSF

ZINC00168490

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 2-Phenyl-1,3-thiazole-5-carbaldehyde 2-Phenyl-1,3-thiazole-5-carbalde…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1011-40-1 , [1011-40-1]

Download: MOL2 SDF SMILES Flexibase

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 0.18 -9.05 0 2 0 30 189.239 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 78 - 80 KeyOrganics
MP 78-80° Matrix Scientific
MP 87 - 89 Enamine Building Blocks
MP 87...89 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
MP 91 - 93 Enamine Building Blocks
MP 94° Matrix Scientific
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.