3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

C18H13N3O3S2 — CID 10215918

IUPAC3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccn2)n1
InChIInChI=1S/C18H13N3O3S2/c22-18-13(9-12-5-1-2-6-14(12)21-18)15-10-25-16(20-15)11-26(23,24)17-7-3-4-8-19-17/h1-10H,11H2,(H,21,22)
InChIKeyOHPFNMNHNRGIBV-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.02
Rot. Bonds4

About 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 10215918) has the molecular formula C18H13N3O3S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID10215918
Molecular FormulaC18H13N3O3S2
Molecular Weight383.45 g/mol
Exact Mass383.04
IUPAC Name3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccn2)n1
InChIInChI=1S/C18H13N3O3S2/c22-18-13(9-12-5-1-2-6-14(12)21-18)15-10-25-16(20-15)11-26(23,24)17-7-3-4-8-19-17/h1-10H,11H2,(H,21,22)
InChIKeyOHPFNMNHNRGIBV-UHFFFAOYSA-N
XLogP3.02
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one 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

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-7-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 10126343
4-Amino-6-(4-methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10127012
3-[2-(Methanesulfonylmethyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10149755
4-Amino-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10171950
4-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10193998
7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
3-[2-(Pyridin-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10236551
4-Amino-6-chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10237032
4-Amino-6-(piperidin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10237718
N,N-diethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxamide
CID 10237742
3-[2-(Thiophen-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10286404

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 10215918) is 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccn2)n1.
What is the InChIKey of 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is OHPFNMNHNRGIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S2/c22-18-13(9-12-5-1-2-6-14(12)21-18)15-10-25-16(20-15)11-26(23,24)17-7-3-4-8-19-17/h1-10H,11H2,(H,21,22).
What are the key properties of 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 383.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10215918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).