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

C15H8ClN3OS2 — CID 2143125

IUPAC(5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccs2)sc2nc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C15H8ClN3OS2/c16-10-4-1-3-9(7-10)13-17-15-19(18-13)14(20)12(22-15)8-11-5-2-6-21-11/h1-8H/b12-8-
InChIKeyFXBMCCYPIZTOJV-WQLSENKSSA-N
MW345.84 g/mol
LogP3.08
Rot. Bonds2

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

(5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 2143125) has the molecular formula C15H8ClN3OS2 and a molecular weight of 345.84 g/mol. Its IUPAC name is (5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID2143125
Molecular FormulaC15H8ClN3OS2
Molecular Weight345.84 g/mol
Exact Mass344.98
IUPAC Name(5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccs2)sc2nc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C15H8ClN3OS2/c16-10-4-1-3-9(7-10)13-17-15-19(18-13)14(20)12(22-15)8-11-5-2-6-21-11/h1-8H/b12-8-
InChIKeyFXBMCCYPIZTOJV-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

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Related Compounds

3-(4-Chlorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 664192
[5-Amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
CID 828580
6-(phenylmethylene)-3-(2-thienyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
CID 5715086
3-(2-Chlorophenyl)-6-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2215524
(Z)-5-(2-chlorobenzylidene)-2-phenylthiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 1909687
5-[(3-methyl-2-thienyl)methylene]-2-(2-thienyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 750725
(5Z)-5-(3-fluorobenzylidene)-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 750739
(5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 1304882
(5Z)-2-(3-chlorophenyl)-5-(2-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 1980109
(5Z)-2-(3-chlorophenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 2143133
(5Z)-2-(3-chlorophenyl)-5-(4-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 5929989
(5Z)-5-(2-fluorobenzylidene)-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 6535238

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 2143125) is (5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2cccs2)sc2nc(-c3cccc(Cl)c3)nn12.
What is the InChIKey of (5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is FXBMCCYPIZTOJV-WQLSENKSSA-N. The full InChI is InChI=1S/C15H8ClN3OS2/c16-10-4-1-3-9(7-10)13-17-15-19(18-13)14(20)12(22-15)8-11-5-2-6-21-11/h1-8H/b12-8-.
What are the key properties of (5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[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)-2-(3-chlorophenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 2143125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).