N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide

C13H11N3O2S2 — CID 6624124

IUPACN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C13H11N3O2S2/c1-20(17,18)16-10-6-4-9(5-7-10)12-15-11-3-2-8-14-13(11)19-12/h2-8,16H,1H3
InChIKeyBQOIXNCLWRPSIM-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.73
Rot. Bonds3

About N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide

N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide (PubChem CID 6624124) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide
PubChem CID6624124
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C13H11N3O2S2/c1-20(17,18)16-10-6-4-9(5-7-10)12-15-11-3-2-8-14-13(11)19-12/h2-8,16H,1H3
InChIKeyBQOIXNCLWRPSIM-UHFFFAOYSA-N
XLogP2.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide (CID 6624124) is N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1.
What is the InChIKey of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide?
The InChIKey is BQOIXNCLWRPSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-20(17,18)16-10-6-4-9(5-7-10)12-15-11-3-2-8-14-13(11)19-12/h2-8,16H,1H3.
What are the key properties of N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide?
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide has a molecular weight of 305.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 6624124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).