6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide

C10H8ClN3OS — CID 104579396

IUPAC6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cncs1)c1cccc(Cl)n1
InChIInChI=1S/C10H8ClN3OS/c11-9-3-1-2-8(14-9)10(15)13-5-7-4-12-6-16-7/h1-4,6H,5H2,(H,13,15)
InChIKeyYRFORGUJLYBZMO-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.12
Rot. Bonds3

About 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide

6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 104579396) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID104579396
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cncs1)c1cccc(Cl)n1
InChIInChI=1S/C10H8ClN3OS/c11-9-3-1-2-8(14-9)10(15)13-5-7-4-12-6-16-7/h1-4,6H,5H2,(H,13,15)
InChIKeyYRFORGUJLYBZMO-UHFFFAOYSA-N
XLogP2.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.12
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-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62413892
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730
6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78989446
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 62234708
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide (CID 104579396) is 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cncs1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YRFORGUJLYBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-9-3-1-2-8(14-9)10(15)13-5-7-4-12-6-16-7/h1-4,6H,5H2,(H,13,15).
What are the key properties of 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide?
6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 253.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104579396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).