2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide

C21H22N4O4S2 — CID 22584321

IUPAC2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide
SMILESCOc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4OC)n3n2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-14-4-9-18(29-3)19(12-14)31(26,27)22-11-10-16-13-30-21-23-20(24-25(16)21)15-5-7-17(28-2)8-6-15/h4-9,12-13,22H,10-11H2,1-3H3
InChIKeyJMIQAIDEWGXGGE-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.30
Rot. Bonds8

About 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide

2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide (PubChem CID 22584321) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide
PubChem CID22584321
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC Name2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide
SMILESCOc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4OC)n3n2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-14-4-9-18(29-3)19(12-14)31(26,27)22-11-10-16-13-30-21-23-20(24-25(16)21)15-5-7-17(28-2)8-6-15/h4-9,12-13,22H,10-11H2,1-3H3
InChIKeyJMIQAIDEWGXGGE-UHFFFAOYSA-N
XLogP3.30
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 22584420
2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584338
4-methoxy-3-methyl-N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 22584332
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 22584390
2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 20965790
N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 7244498
2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780802
3,4-dimethyl-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 20965799
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 20965821
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 18564680
2,5-dimethoxy-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110400983

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide (CID 22584321) is 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide is COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4OC)n3n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide?
The InChIKey is JMIQAIDEWGXGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-14-4-9-18(29-3)19(12-14)31(26,27)22-11-10-16-13-30-21-23-20(24-25(16)21)15-5-7-17(28-2)8-6-15/h4-9,12-13,22H,10-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide?
2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide has a molecular weight of 458.57 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 22584321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).