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

C17H14N4O3S2 — CID 132547291

IUPAC4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2csc3nc(-c4ccc(S(N)(=O)=O)cc4)nn23)cc1
InChIInChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-25-17-19-16(20-21(15)17)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
InChIKeyRHIHLJRYWPATPR-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.78
Rot. Bonds4

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

4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide (PubChem CID 132547291) has the molecular formula C17H14N4O3S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
PubChem CID132547291
Molecular FormulaC17H14N4O3S2
Molecular Weight386.46 g/mol
Exact Mass386.05
IUPAC Name4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2csc3nc(-c4ccc(S(N)(=O)=O)cc4)nn23)cc1
InChIInChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-25-17-19-16(20-21(15)17)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
InChIKeyRHIHLJRYWPATPR-UHFFFAOYSA-N
XLogP2.78
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide (CID 132547291) is 4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide is COc1ccc(-c2csc3nc(-c4ccc(S(N)(=O)=O)cc4)nn23)cc1.
What is the InChIKey of 4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
The InChIKey is RHIHLJRYWPATPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-25-17-19-16(20-21(15)17)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23).
What are the key properties of 4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?
4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide has a molecular weight of 386.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 132547291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).