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

C20H17N3O2S2 — CID 16806807

IUPAC4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1
InChIInChI=1S/C20H17N3O2S2/c1-13-5-9-16(10-6-13)27(24,25)23-18-12-15(8-7-14(18)2)19-22-17-4-3-11-21-20(17)26-19/h3-12,23H,1-2H3
InChIKeyWSZGBGZQAXFLON-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.78
Rot. Bonds4

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

4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 16806807) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID16806807
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Name4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1
InChIInChI=1S/C20H17N3O2S2/c1-13-5-9-16(10-6-13)27(24,25)23-18-12-15(8-7-14(18)2)19-22-17-4-3-11-21-20(17)26-19/h3-12,23H,1-2H3
InChIKeyWSZGBGZQAXFLON-UHFFFAOYSA-N
XLogP4.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide 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 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (CID 16806807) is 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1.
What is the InChIKey of 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is WSZGBGZQAXFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-13-5-9-16(10-6-13)27(24,25)23-18-12-15(8-7-14(18)2)19-22-17-4-3-11-21-20(17)26-19/h3-12,23H,1-2H3.
What are the key properties of 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 395.51 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16806807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).