6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

C11H10ClN3OS — CID 55052730

IUPAC6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1csc(CNC(=O)c2cccc(Cl)n2)n1
InChIInChI=1S/C11H10ClN3OS/c1-7-6-17-10(14-7)5-13-11(16)8-3-2-4-9(12)15-8/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyKZYGMBGQSYUETM-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.43
Rot. Bonds3

About 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 55052730) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID55052730
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1csc(CNC(=O)c2cccc(Cl)n2)n1
InChIInChI=1S/C11H10ClN3OS/c1-7-6-17-10(14-7)5-13-11(16)8-3-2-4-9(12)15-8/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyKZYGMBGQSYUETM-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.43
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

6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78989446
2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 63659710
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
CID 104579396
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 43040329
6-methyl-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 110462485
6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62413892
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51328953

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (CID 55052730) is 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is Cc1csc(CNC(=O)c2cccc(Cl)n2)n1.
What is the InChIKey of 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is KZYGMBGQSYUETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7-6-17-10(14-7)5-13-11(16)8-3-2-4-9(12)15-8/h2-4,6H,5H2,1H3,(H,13,16).
What are the key properties of 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 55052730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).