(5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C15H8ClN3OS2 — CID 750702

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2ccccc2Cl)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H8ClN3OS2/c16-10-5-2-1-4-9(10)8-12-14(20)19-15(22-12)17-13(18-19)11-6-3-7-21-11/h1-8H/b12-8-
InChIKeyYENUVFUSVYMPJG-WQLSENKSSA-N
MW345.84 g/mol
LogP3.08
Rot. Bonds2

About (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 750702) has the molecular formula C15H8ClN3OS2 and a molecular weight of 345.84 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID750702
Molecular FormulaC15H8ClN3OS2
Molecular Weight345.84 g/mol
Exact Mass344.98
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2ccccc2Cl)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H8ClN3OS2/c16-10-5-2-1-4-9(10)8-12-14(20)19-15(22-12)17-13(18-19)11-6-3-7-21-11/h1-8H/b12-8-
InChIKeyYENUVFUSVYMPJG-WQLSENKSSA-N
XLogP3.08
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.84
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one 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 (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 750702) is (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2ccccc2Cl)sc2nc(-c3cccs3)nn12.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is YENUVFUSVYMPJG-WQLSENKSSA-N. The full InChI is InChI=1S/C15H8ClN3OS2/c16-10-5-2-1-4-9(10)8-12-14(20)19-15(22-12)17-13(18-19)11-6-3-7-21-11/h1-8H/b12-8-.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 345.84 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 750702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).