Basic information
- CAS
71047-48-8- Standard SMILES
CC(=O)c1sc(Nc2ccc(C)cc2)nc1C- InChIKey
USXHFWPMWDRNAX-UHFFFAOYSA-N- Molecular formula
- C13H14N2OS
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.08268425
Names & identifiers
- Preferred name
- 7R-0250
- IUPAC
- 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone
Names & synonyms
71047-48-8DTXSID003542977R-0250RefChem:311516DTXCID303053581-(4-Methyl-2-(p-tolylamino)thiazol-5-yl)ethanoneMFCD007493111-(4-Methyl-2-(4-toluidino)-1,3-thiazol-5-yl)-1-ethanone1-[4-methyl-2-(4-toluidino)-1,3-thiazol-5-yl]-1-ethanone1-(4-Methyl-2-(p-tolylamino)thiazol-5-yl)ethan-1-one1-[4-Methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethan-1-oneCHEMBL1623237
Show more names
SCHEMBL279711731-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone1-{4-methyl-2-[(4-methylphenyl)amino]-1,3-thiazol-5-yl}ethan-1-oneAKOS001411294CS-0357865AG-690/10102042SR-01000492498SR-01000492498-1
Database identifiers
- CAS
71047-48-8- PubChem CID
- 768079
- DTXSID
DTXSID00354297- ChEMBL
CHEMBL1623237- Nikkaji
- J2.990.670J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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