Basic information
- CAS
333436-49-0- Standard SMILES
CCOC(=O)c1sc(NC(=O)c2cccc(I)c2)nc1C- InChIKey
DCUFANCGARCNOP-UHFFFAOYSA-N- Molecular formula
- C14H13IN2O3S
- Average molar mass
- 416.24 g/mol
- Monoisotopic mass
- 415.96916
Names & identifiers
- Preferred name
- Ethyl 2-{[(3-iodophenyl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[(3-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Names & synonyms
ETHYL 2-(3-IODOBENZAMIDO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATEOprea1_177823DTXSID901180763STK237548AKOS003351831ethyl 2-{[(3-iodophenyl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate333436-49-0ST059463Ethyl 2-[(3-iodobenzoyl)amino]-4-methyl-5-thiazolecarboxylateethyl 2-[(3-iodophenyl)carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate
Database identifiers
- CAS
333436-49-0- PubChem CID
- 3989098
- DTXSID
DTXSID901180763
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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