| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2005 | 10 | No |
Popular Name: 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine 4,5,6,7-tetrahydro-1,3-benzothia…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1177343-02-0 , 118926-63-9 , 136-95-8 , 145901-11-7 , 15951-21-0 , 2933-29-1 , [2933-29-1]
2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazole
2-Amino-4,5,6,7-tetrahydrobenzothiazol
2-Amino-4,5,6,7-tetrahydrobenzothiazole
2-Amino-4,5,6,7-tetrahydrobenzothiazole Hydrochloride
2-benzothiazolamine, 4,5,6,7-tetrahydro-, monohydrobromide
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydra iodide
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydrobromide
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydrochloride
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydroiodide
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine oxalate
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamine
4,5,6,7-tetrahydro-2-amino-benzothiazol
4,5,6,7-Tetrahydro-benzothiazol-2-ylamine
4,5,6,7-Tetrahydro-benzothiazol-2-ylamine hydrochloride
4,5,6,7-Tetrahydro-benzothiazol-2-ylamine, HCl
4,5,6,7-Tetrahydro-benzothiazol-2-ylaminehydrochloride
4,5,6,7-Tetrahydrobenzo[d]thiazol-2-amine
| 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) | 1.71 | 3.34 | -7.22 | 2 | 2 | 0 | 39 | 154.238 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 3.73 | -28.1 | 3 | 2 | 1 | 40 | 155.246 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 100°/0.001 Torr | Matrix Scientific |
| melting_point | 207 - 211 | KeyOrganics |
| MP | 249-250° | Oakwood Chemical |
| MP | 30 - 32 | Enamine Building Blocks |
| MP | 30...32 | Enamine Building Blocks |
| MP | 87-88° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Purity | 90% | Fluorochem |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80387-1-O | PC-12 (Adrenal Phaeochromacytoma Cells) (cluster #1 Of 3), Other | Other | 8750 | 0.71 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80387 | Z80387 | PC-12 (Adrenal Phaeochromacytoma Cells) | 8750 | 0.71 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.