Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate
Basic information
- CAS
72083-45-5- Standard SMILES
CCOC(=O)c1cc2nc(NC(=O)c3ccccc3)sc2n1C- InChIKey
QZVGBIQXJGHIEN-UHFFFAOYSA-N- Molecular formula
- C16H15N3O3S
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.08341252
Names & identifiers
- Preferred name
- Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate
- IUPAC
- ethyl 2-benzamido-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate
Names & synonyms
72083-45-5FM6KN6CSI6Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylateUNII-FM6KN6CSI6NSC 354209NSC-354209DTXSID202224094H-PYRROLO(3,2-D)THIAZOLE-5-CARBOXYLIC ACID, 2-(BENZOYLAMINO)-4-METHYL-, ETHYL ESTEREthyl 2-(benzoylamino)-4-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylateRefChem:138552DTXCID70144900NSC354209
Show more names
Ethyl 2-benzamido-4-methyl-4H-pyrrolo[3,2-d]thiazole-5-carboxylateethyl 2-benzamido-4-methyl-pyrrolo[3,2-d]thiazole-5-carboxylateEthyl 2-benzamido-4-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylate
Database identifiers
- CAS
72083-45-5- PubChem CID
- 337144
- DTXSID
DTXSID20222409- UNII
- FM6KN6CSI6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
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Related reactions
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Compound notes
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