2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide

C13H14ClN3OS — CID 113379684

IUPAC2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Cl)nc(C(C)C)c2)s1
InChIInChI=1S/C13H14ClN3OS/c1-7(2)10-4-9(5-11(14)16-10)12(18)17-13-15-6-8(3)19-13/h4-7H,1-3H3,(H,15,17,18)
InChIKeyJEZWPJCRONOCRE-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.88
Rot. Bonds3

About 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 113379684) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID113379684
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Cl)nc(C(C)C)c2)s1
InChIInChI=1S/C13H14ClN3OS/c1-7(2)10-4-9(5-11(14)16-10)12(18)17-13-15-6-8(3)19-13/h4-7H,1-3H3,(H,15,17,18)
InChIKeyJEZWPJCRONOCRE-UHFFFAOYSA-N
XLogP3.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459161
2-amino-6-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 113378971
2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide
CID 107856629
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
5-chloro-6-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62249389
2-chloro-N-(1,3-dimethylpyrazol-4-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 102804809
3,5-diethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 59736022
2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 114202175
methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379820
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
2-amino-N-(5-bromo-1,3-thiazol-2-yl)-6-chloropyridine-4-carboxamide
CID 62160793
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide (CID 113379684) is 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide is Cc1cnc(NC(=O)c2cc(Cl)nc(C(C)C)c2)s1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is JEZWPJCRONOCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-7(2)10-4-9(5-11(14)16-10)12(18)17-13-15-6-8(3)19-13/h4-7H,1-3H3,(H,15,17,18).
What are the key properties of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 113379684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).