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

C12H12ClN3OS — CID 104578800

IUPAC3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccncc1Cl)c1nccs1
InChIInChI=1S/C12H12ClN3OS/c1-8(12-15-4-5-18-12)6-16-11(17)9-2-3-14-7-10(9)13/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyFUQOMUDFEFYSCA-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.72
Rot. Bonds4

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

3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide (PubChem CID 104578800) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
PubChem CID104578800
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccncc1Cl)c1nccs1
InChIInChI=1S/C12H12ClN3OS/c1-8(12-15-4-5-18-12)6-16-11(17)9-2-3-14-7-10(9)13/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyFUQOMUDFEFYSCA-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-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

3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine
CID 104577268
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428973
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583096
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
6-amino-N-[2-(1,3-thiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 114129314
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide (CID 104578800) is 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide is CC(CNC(=O)c1ccncc1Cl)c1nccs1.
What is the InChIKey of 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The InChIKey is FUQOMUDFEFYSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-8(12-15-4-5-18-12)6-16-11(17)9-2-3-14-7-10(9)13/h2-5,7-8H,6H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 104578800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).