Basic information
- CAS
303162-59-6- Standard SMILES
COc1ccc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccnc(NC(=O)c3cccnc3)c2)cc1- InChIKey
PBVUSJXRSJAMIY-UHFFFAOYSA-N- Molecular formula
- C27H20N6O3S
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.1317595
Names & identifiers
- Preferred name
- N-[4-(4-Methoxyphenyl)-5-{2-[(pyridine-3-carbonyl)amino]pyridin-4-yl}-1,3-thiazol-2-yl]pyridine-3-carboxamide
- IUPAC
- N-[4-[4-(4-methoxyphenyl)-2-(pyridine-3-carbonylamino)-1,3-thiazol-5-yl]-2-pyridinyl]pyridine-3-carboxamide
Names & synonyms
303162-59-6N-[4-(4-Methoxyphenyl)-5-{2-[(pyridine-3-carbonyl)amino]pyridin-4-yl}-1,3-thiazol-2-yl]pyridine-3-carboxamideSCHEMBL4258907SCHEMBL31079626DTXSID50432115PBVUSJXRSJAMIY-UHFFFAOYSA-NL020248N-[4-(4-methoxypheny)-5-[2-[(3-pyridylcarbonylamino)]-4-pyridyl]-1,3-thiazol-2-yl]nicotinamideN-[4-(4-methoxyphenyl)-5-[2-[(3-pyridylcarbonylamino)]-4-pyridyl]-1,3-thiazol-2-yl]nicotinamideN-{4-(4-Methoxyphenyl)-5-[2-(pyridine-3-carboxamido)pyridin-4-yl]-1,3-thiazol-2-yl}pyridine-3-carboxamide
Database identifiers
- CAS
303162-59-6- PubChem CID
- 9870905
- DTXSID
DTXSID50432115
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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