Basic information
- CAS
72225-19-5- Standard SMILES
Cc1ccc(C(=O)NC2=NCCS2)cc1- InChIKey
KRNFLODRNBSJFX-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.06703418
Names & identifiers
- Preferred name
- N-(4,5-Dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
- IUPAC
- N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
Names & synonyms
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide72225-19-5DTXSID40992955RefChem:1091192DTXCID701420018Benzamide, N-(4,5-dihydro-2-thiazolyl)-4-methyl-(Methyl-4 benzoyl) imino-2 thiazoline [French]N-(4,5-Dihydro-2-thiazolyl)-4-methylbenzamideMLS000523605N-(4,5-Dihydro-thiazol-2-yl)-4-methyl-benzamideCHEMBL1368933SCHEMBL11346555
Show more names
HMS2773K09STK001109AKOS000671276AKOS005145225(Methyl-4 benzoyl) imino-2 thiazolineWAY-233273NCGC00245490-01SMR000122678
Database identifiers
- CAS
72225-19-5- PubChem CID
- 776902
- DTXSID
DTXSID40992955- ChEMBL
CHEMBL1368933
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
Solubility32.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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