Basic information
- CAS
71047-52-4- Standard SMILES
CC(=O)c1sc(Nc2ccccn2)nc1C- InChIKey
HYVIYVTYOOLRJD-UHFFFAOYSA-N- Molecular formula
- C11H11N3OS
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.06228316
Names & identifiers
- Preferred name
- Ethanone, 1-[4-methyl-2-(2-pyridinylamino)-5-thiazolyl]-
- IUPAC
- 1-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone
Names & synonyms
Ethanone, 1-[4-methyl-2-(2-pyridinylamino)-5-thiazolyl]-71047-52-41-[4-methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanoneMLS0000343191-[4-Methyl-2-(pyridin-2-ylamino)-thiazol-5-yl]-ethanoneSMR000009208SCHEMBL8738378CHEMBL1622190BDBM42589cid_6602572DTXSID30346903HYVIYVTYOOLRJD-UHFFFAOYSA-N
Show more names
1-{4-methyl-2-[(pyridin-2-yl)amino]-1,3-thiazol-5-yl}ethan-1-oneAKOS000359315EU-0078194AG-690/12766580SR-01000492500Thiazole, 5-acetyl-4-methyl-2-(2-pyridylamino)-SR-01000492500-11-[4-Methyl-2-(2-pyridinylamino)-1,3-thiazol-5-yl]ethanone
Database identifiers
- CAS
71047-52-4- PubChem CID
- 616262
- DTXSID
DTXSID30346903- ChEMBL
CHEMBL1622190
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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