Basic information
- Standard SMILES
CCOC(=O)c1csc(Cc2ccccc2)n1- InChIKey
SJRIITISXFXAMS-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-benzylthiazole-4-carboxylate
- IUPAC
- ethyl 2-benzyl-1,3-thiazole-4-carboxylate
Names & synonyms
Ethyl 2-benzylthiazole-4-carboxylate83553-49-5ethyl 2-benzyl-1,3-thiazole-4-carboxylateMFCD02102511Ethyl 2-bBenzylthiazole-4-carboxylate4-Thiazolecarboxylic acid, 2-(phenylmethyl)-, ethyl esterEthyl2-Benzylthiazole-4-carboxylateSCHEMBL10918829SJRIITISXFXAMS-UHFFFAOYSA-NAKOS005083882ethyl 2-benzyl-thiazole-4-carboxylateSY359328
Show more names
CS-0319373F836561R-1528F316414
Database identifiers
- PubChem CID
- 1491568
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
5 records
Compound notes
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