Ethyl 4-{[(4-methyl-1,3-thiazol-2-yl)carbamoyl]amino}benzoate
Basic information
- CAS
69236-58-4- Standard SMILES
CCOC(=O)c1ccc(NC(=O)Nc2nc(C)cs2)cc1- InChIKey
PNZUXPHUTFXDPG-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3S
- Average molar mass
- 305.35 g/mol
- Monoisotopic mass
- 305.08341252
Names & identifiers
- Preferred name
- Ethyl 4-{[(4-methyl-1,3-thiazol-2-yl)carbamoyl]amino}benzoate
- IUPAC
- ethyl 4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoate
Names & synonyms
69236-58-4NSC285690CHEMBL3230516DTXSID50314563Ethyl 4-{[(4-methyl-1,3-thiazol-2-yl)carbamoyl]amino}benzoateNSC-285690DS-001311Benzoic acid, 4-[[[(4-methyl-2-thiazolyl)amino]carbonyl]amino]-, ethyl ester
Database identifiers
- CAS
69236-58-4- PubChem CID
- 323650
- DTXSID
DTXSID50314563- ChEMBL
CHEMBL3230516
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
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Related reactions
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Compound notes
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