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

C13H14ClN3O2S — CID 47293511

IUPAC5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O2S/c1-7(2)19-12-10(14)4-9(5-15-12)11(18)17-13-16-8(3)6-20-13/h4-7H,1-3H3,(H,16,17,18)
InChIKeyVULHJPHHVXJTQS-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.54
Rot. Bonds4

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

5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 47293511) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID47293511
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O2S/c1-7(2)19-12-10(14)4-9(5-15-12)11(18)17-13-16-8(3)6-20-13/h4-7H,1-3H3,(H,16,17,18)
InChIKeyVULHJPHHVXJTQS-UHFFFAOYSA-N
XLogP3.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 7959065
N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
CID 52687935
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46674292
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-[(2S)-1-methoxypropan-2-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 143828242
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 78904618
4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362510
5-chloro-N-(5-phenyl-2-pyridinyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55951557
2-[2-[2-methoxyethyl(methyl)amino]ethoxy]-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 143828211

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide (CID 47293511) is 5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide is Cc1csc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)n1.
What is the InChIKey of 5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is VULHJPHHVXJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-7(2)19-12-10(14)4-9(5-15-12)11(18)17-13-16-8(3)6-20-13/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of 5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide?
5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 311.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 47293511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).