| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 17 | No |
Popular Name: 6-(2-amino-1,3-thiazol-4-yl)-2H-1,4-benzoxazin-3(4H)-one hydrochloride 6-(2-amino-1,3-thiazol-4-yl)-2H-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1049742-69-9 , 749889-22-3 , [1049742-69-9]
6-(2-amino-1,3-thiazol-4-yl)-2H-1,4-benzoxazin-3(4H)-one
6-(2-Amino-1,3-thiazol-4-yl)-2H-1,4-benzoxazin-3(4H)-onehydrochloride
6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
6-(2-Aminothiazol-4-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride
| 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) | 1.17 | 1.76 | -10.48 | 3 | 5 | 0 | 77 | 247.279 | 1 | ↓ |
| Ref Reference (pH 7) | 1.36 | -0.95 | -11.62 | 3 | 5 | 0 | 81 | 247.279 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | -0.89 | -41.83 | 2 | 5 | -1 | 78 | 246.271 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 2.12 | -37.87 | 4 | 5 | 1 | 78 | 248.287 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.36 | -0.59 | -34.01 | 4 | 5 | 1 | 82 | 248.287 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 16 - 18 | Enamine Building Blocks |
| MP | 16...18 | Enamine Building Blocks |
| melting_point | 3.040000000000000e+002 - 3.060000000000000e+002 | KeyOrganics |
| melting_point | 304 - 306 | KeyOrganics |
| MP | 304-306° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
