Basic information
- CAS
1189316-26-4- Standard SMILES
Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)n[nH]2)c(O)c1- InChIKey
NJZIWAQXADINAD-UHFFFAOYSA-N- Molecular formula
- C16H17N5O2S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.11029598
Names & identifiers
- Preferred name
- 3-(2-hydroxy-4-methylphenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
- IUPAC
- 3-(2-hydroxy-4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
- English name
- 3-(2-hydroxy-4-methylphenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
- Molecular formula
- C16H17N5O2S
- Molecular weight
- 343.4
Names & synonyms
3-(2-hydroxy-4-methylphenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide1189316-26-4STK573850STK820606AKOS002251269AKOS0054985543-(2-hydroxy-4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide(5Z)-5-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide3-(2-hydroxy-4-methylphenyl)-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1H-pyrazole-5-carboxamide3-(2-hydroxy-4-methylphenyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-5-carboxamide1H-Pyrazole-3-carboxamide, 5-(2-hydroxy-4-methylphenyl)-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-
Database identifiers
- CAS
1189316-26-4- PubChem CID
- 1969298
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- pka
- 6.39 · 6.39±0.50(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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