Basic information
- CAS
1107621-03-3- Standard SMILES
O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1- InChIKey
WOJRHCOBUKJCAJ-VAWYXSNFSA-N- Molecular formula
- C18H14N2OS
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.08268425
Names & identifiers
- Preferred name
- 2-Cinnamamido-4-phenylthiazole
- IUPAC
- (E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
- English name
- N-(4-phenylthiazol-2-yl)cinnamamide
- Molecular formula
- C18H14N2OS
- Molecular weight
- 306.38
Names & synonyms
2-Cinnamamido-4-phenylthiazole1107621-03-3(2E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamideCHEMBL452100(E)-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamideF0298-0058WAY-382659(E)-N-(4-Phenylthiazol-2-yl) cinnamamide57QC32JP5WWOJRHCOBUKJCAJ-VAWYXSNFSA-NHMS1397P15SMSSF-0042934
Show more names
2-Propenamide, 3-phenyl-N-(4-phenyl-2-thiazolyl)-, (2E)-
BDBM50255301N-(4-phenylthiazol-2-yl)cinnamamideSTK173781AKOS000523355EBC-145166EBC-179242ST40164503-Phenyl-N-(4-phenyl-2-thiazolyl)-2-propenamide
Database identifiers
- CAS
1107621-03-3- PubChem CID
- 690181
- ChEMBL
CHEMBL452100- UNII
- 57QC32JP5W
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 238 · 238-239 °C(Solv: ethanol (64-17-5))
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 7.5 · 7.50±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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