2-{[3-(3,4-dimethoxyphenyl)acryloyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
Basic information
- CAS
1164543-89-8- Standard SMILES
COc1ccc(/C=C/C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1OC- InChIKey
KMXSIRADIPEIHY-VQHVLOKHSA-N- Molecular formula
- C18H21N3O4S
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.12527733
Names & identifiers
- Preferred name
- 2-{[3-(3,4-dimethoxyphenyl)acryloyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
- IUPAC
- 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
- English name
- 2-{[3-(3,4-dimethoxyphenyl)acryloyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
- Molecular formula
- C18H21N3O4S
- Molecular weight
- 375.44
Names & synonyms
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide2-{[3-(3,4-dimethoxyphenyl)acryloyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamideMLS000672999CHEMBL1534674HMS2570K20STK438116AKOS003273614SMR000272210ST50925622AK-968/13408234(2E)-3-(3,4-dimethoxyphenyl)-N-[5-(N,N-dimethylcarbamoyl)-4-methyl(1,3-thiazol -2-yl)]prop-2-enamide1164543-89-8
Show more names
2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
Database identifiers
- CAS
1164543-89-8- PubChem CID
- 1222836
- ChEMBL
CHEMBL1534674
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Density
- 1.279 · 1.279±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.187 · 10.187±0.10(predicted)
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Compound notes
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