N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C16H13N3OS — CID 861587

IUPACN-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H13N3OS/c1-19(15(20)13-7-9-17-10-8-13)16-18-14(11-21-16)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyIRJKUQRZOGAPEA-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.48
Rot. Bonds3

About N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 861587) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID861587
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H13N3OS/c1-19(15(20)13-7-9-17-10-8-13)16-18-14(11-21-16)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyIRJKUQRZOGAPEA-UHFFFAOYSA-N
XLogP3.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861592
3-chloro-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175846
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 110723514
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 70031085
N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
CID 67146644
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
CID 22433301
(2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 173467340
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 861587) is N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is CN(C(=O)c1ccncc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is IRJKUQRZOGAPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-19(15(20)13-7-9-17-10-8-13)16-18-14(11-21-16)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 861587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).