2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide

C19H18N4O5S2 — CID 108780802

IUPAC2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2csc3nc(NS(=O)(=O)c4cc(OC)ccc4OC)nn23)cc1
InChIInChI=1S/C19H18N4O5S2/c1-26-13-6-4-12(5-7-13)15-11-29-19-20-18(21-23(15)19)22-30(24,25)17-10-14(27-2)8-9-16(17)28-3/h4-11H,1-3H3,(H,21,22)
InChIKeyONONBBHMQJDTGI-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.28
Rot. Bonds7

About 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide

2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide (PubChem CID 108780802) has the molecular formula C19H18N4O5S2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
PubChem CID108780802
Molecular FormulaC19H18N4O5S2
Molecular Weight446.51 g/mol
Exact Mass446.07
IUPAC Name2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2csc3nc(NS(=O)(=O)c4cc(OC)ccc4OC)nn23)cc1
InChIInChI=1S/C19H18N4O5S2/c1-26-13-6-4-12(5-7-13)15-11-29-19-20-18(21-23(15)19)22-30(24,25)17-10-14(27-2)8-9-16(17)28-3/h4-11H,1-3H3,(H,21,22)
InChIKeyONONBBHMQJDTGI-UHFFFAOYSA-N
XLogP3.28
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide 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

5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780573
4-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780595
3,4-dimethoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780578
N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108780619
2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780603
5-chloro-2-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780743
4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780737
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 108780689
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108811523
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780564
1-ethyl-3-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiourea
CID 108780813

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide (CID 108780802) is 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide is COc1ccc(-c2csc3nc(NS(=O)(=O)c4cc(OC)ccc4OC)nn23)cc1.
What is the InChIKey of 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
The InChIKey is ONONBBHMQJDTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S2/c1-26-13-6-4-12(5-7-13)15-11-29-19-20-18(21-23(15)19)22-30(24,25)17-10-14(27-2)8-9-16(17)28-3/h4-11H,1-3H3,(H,21,22).
What are the key properties of 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide has a molecular weight of 446.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 108780802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).