Basic information
- CAS
827022-72-0- Standard SMILES
O=C(N[C@@H](CS)C(=O)O)C1CSC(c2ccccc2)=N1- InChIKey
QCEINFRVKKYRIQ-RGURZIINSA-N- Molecular formula
- C13H14N2O3S2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.04458466
Names & identifiers
- Preferred name
- N-(2-Phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)-L-cysteine
- IUPAC
- (2R)-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
Names & synonyms
827022-72-0DTXSID10837182N-(2-Phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)-L-cysteine
Database identifiers
- CAS
827022-72-0- PubChem CID
- 71417852
- DTXSID
DTXSID10837182
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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