5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C16H13ClN4OS — CID 171091225

IUPAC5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3cnccc3C)c(Cl)cn2)n1
InChIInChI=1S/C16H13ClN4OS/c1-9-3-4-18-6-12(9)11-5-14(19-7-13(11)17)15(22)21-16-20-10(2)8-23-16/h3-8H,1-2H3,(H,20,21,22)
InChIKeyFBBADLZTHXYUFH-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.12
Rot. Bonds3

About 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 171091225) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID171091225
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3cnccc3C)c(Cl)cn2)n1
InChIInChI=1S/C16H13ClN4OS/c1-9-3-4-18-6-12(9)11-5-14(19-7-13(11)17)15(22)21-16-20-10(2)8-23-16/h3-8H,1-2H3,(H,20,21,22)
InChIKeyFBBADLZTHXYUFH-UHFFFAOYSA-N
XLogP4.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 172523643
7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide
CID 171092022
3-fluoro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 167518263
5,6-dichloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 7959065
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820953
5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47293511
2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 162387055
2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 973569
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47255361
N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 110689621
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 171091225) is 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1csc(NC(=O)c2cc(-c3cnccc3C)c(Cl)cn2)n1.
What is the InChIKey of 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is FBBADLZTHXYUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c1-9-3-4-18-6-12(9)11-5-14(19-7-13(11)17)15(22)21-16-20-10(2)8-23-16/h3-8H,1-2H3,(H,20,21,22).
What are the key properties of 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 344.83 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 171091225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).