6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide

C10H8ClN3OS — CID 62413892

IUPAC6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cscn1)c1cccc(Cl)n1
InChIInChI=1S/C10H8ClN3OS/c11-9-3-1-2-8(14-9)10(15)12-4-7-5-16-6-13-7/h1-3,5-6H,4H2,(H,12,15)
InChIKeySUOWNQRYJVUCHB-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.12
Rot. Bonds3

About 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide

6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 62413892) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
PubChem CID62413892
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cscn1)c1cccc(Cl)n1
InChIInChI=1S/C10H8ClN3OS/c11-9-3-1-2-8(14-9)10(15)12-4-7-5-16-6-13-7/h1-3,5-6H,4H2,(H,12,15)
InChIKeySUOWNQRYJVUCHB-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'}

Analyze 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324212
6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
CID 104579396
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 63824354
2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830369
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168
5-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 113436186
6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 63306782
6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78989446
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide (CID 62413892) is 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cscn1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SUOWNQRYJVUCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-9-3-1-2-8(14-9)10(15)12-4-7-5-16-6-13-7/h1-3,5-6H,4H2,(H,12,15).
What are the key properties of 6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide?
6-chloro-N-(1,3-thiazol-4-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-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62413892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).