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Basic information
- CAS
87614-00-4- Standard SMILES
Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1- InChIKey
NERONVMZIDSIRT-UHFFFAOYSA-N- Molecular formula
- C17H14N2OS
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.08268425
Names & identifiers
- Preferred name
- 4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
- IUPAC
- 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
- English name
- (Z)-4-methyl-N-(4-phenylthiazol-2(3H)-ylidene)benzamide
- Molecular formula
- C17H14N2OS
- Molecular weight
- 294.37
Names & synonyms
87614-00-4GF8E9Q7FFH4-Methyl-N-(4-phenyl-2-thiazolyl)benzamideRefChem:10711374-Methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamideCHEMBL2941754-Methyl-N-(4-phenyl-thiazol-2-yl)-benzamideBenzamide, 4-methyl-N-(4-phenyl-2-thiazolyl)-Oprea1_000114Oprea1_598164Oprea1_751162SCHEMBL233522
Show more names
(Z)-4-methyl-N-(4-phenylthiazol-2(3H)-ylidene)benzamideBDBM50101781EBC-07059STK084905AKOS000486758AKOS0245739762-p-Methylbenzoylamino-4-phenylthiazolePD182274
Database identifiers
- CAS
87614-00-4- PubChem CID
- 577347
- ChEMBL
CHEMBL294175- UNII
- GF8E9Q7FFH
- Nikkaji
- J1.578.917D
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 234 °C · 234 °C(Solv: dimethyl sulfoxide (67-68-5))
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 7.24 · 7.24±0.50(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
5 records
Compound notes
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