N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide

C22H24N4O4S2 — CID 22584420

IUPACN-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4C)n3n2)cc1OC
InChIInChI=1S/C22H24N4O4S2/c1-14-5-6-15(2)20(11-14)32(27,28)23-10-9-17-13-31-22-24-21(25-26(17)22)16-7-8-18(29-3)19(12-16)30-4/h5-8,11-13,23H,9-10H2,1-4H3
InChIKeyVGHUTAXNMRZLAC-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.61
Rot. Bonds8

About N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide

N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 22584420) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID22584420
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4C)n3n2)cc1OC
InChIInChI=1S/C22H24N4O4S2/c1-14-5-6-15(2)20(11-14)32(27,28)23-10-9-17-13-31-22-24-21(25-26(17)22)16-7-8-18(29-3)19(12-16)30-4/h5-8,11-13,23H,9-10H2,1-4H3
InChIKeyVGHUTAXNMRZLAC-UHFFFAOYSA-N
XLogP3.61
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-5-methylbenzenesulfonamide
CID 22584321
4-methoxy-3-methyl-N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 22584332
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-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 22584390
2,5-dichloro-N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584338
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 20965821
2-(4-chlorophenyl)-N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564675
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-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
CID 7244498
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974200
N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 20965903
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide
CID 20965812

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide (CID 22584420) is N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide is COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4C)n3n2)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is VGHUTAXNMRZLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-14-5-6-15(2)20(11-14)32(27,28)23-10-9-17-13-31-22-24-21(25-26(17)22)16-7-8-18(29-3)19(12-16)30-4/h5-8,11-13,23H,9-10H2,1-4H3.
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 472.59 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22584420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).