AC1NTWMF
3-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxylic acid
Also Known As: CBKinase1_010971|CBKinase1_023371|3-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methylthiazol-2-yl)-1H-pyrazole-5-carboxylic acid|VU0508002-1|SR-01000293436-1|BRD-K56781079-001-01-7|F3055-0531|(5Z)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazole-3-carboxylic acid|3-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methyl(1,3-thiazol-2-yl))pyrazole-5-carbo xylic acid|3-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxylic acid|5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrazole-3-carboxylic acid
| Molecular Formula | C16H15N3O4S |
|---|---|
| Molecular Weight | 345.07834 g/mol |
| LogP | 3.18042 |
| Topological Polar Surface Area | 119.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.07834 |
| Monoisotopic Mass | 345.07834 |
| Heavy Atoms | 24 |
| Complexity | 929.54816 |
Chemical Identifiers
| CAS Number | 311809-96-8 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=NC(=CS3)C)C(=O)O |
Product Overview
AC1NTWMF (CAS 311809-96-8), with molecular formula C16H15N3O4S and molecular weight 345.07834 g/mol. IUPAC: 3-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxylic acid.
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