Basic information
- CAS
6558-36-7- Standard SMILES
O=C(NC1=NCCS1)c1ccccc1- InChIKey
PCGUVSMZEIQKDI-UHFFFAOYSA-N- Molecular formula
- C10H10N2OS
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.05138412
Names & identifiers
- Preferred name
- N-(4,5-Dihydro-thiazol-2-yl)-benzamide
- IUPAC
- N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
Names & synonyms
N-(4,5-Dihydro-thiazol-2-yl)-benzamide6558-36-7DTXSID90355470RefChem:361536DTXCID60306530N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide2-benzamidothiazolineMLS001203460CHEMBL1449049SCHEMBL30405967HMS1676K19HMS2844P08
Show more names
AKOS000620010AKOS005145215N-(1,3-thiazolidin-2-ylidene)benzamideCL-84328SMR000514909phenyl-N-(1,3-thiazolin-2-yl)carboxamideST50236430AE-848/32306002
Database identifiers
- CAS
6558-36-7- PubChem CID
- 802148
- DTXSID
DTXSID90355470- ChEMBL
CHEMBL1449049
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
Solubility21.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…