Basic information
- CAS
133972-64-2- Standard SMILES
COC(=O)c1cnc(Nc2ccccc2)s1- InChIKey
DWTBCNWPZJVLAP-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- Methyl 2-(phenylamino)-5-thiazolecarboxylate
- IUPAC
- methyl 2-anilino-1,3-thiazole-5-carboxylate
Names & synonyms
133972-64-2Methyl 2-(phenylamino)-5-thiazolecarboxylateRefChem:353969Methyl 2-anilino-1,3-thiazole-5-carboxylatemethyl 2-(phenylamino)-1,3-thiazole-5-carboxylateSCHEMBL6330953DWTBCNWPZJVLAP-UHFFFAOYSA-NDTXSID601256925AKOS019137093EN300-6510398
Database identifiers
- CAS
133972-64-2- PubChem CID
- 11622776
- DTXSID
DTXSID601256925
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…