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

C15H8ClN3OS2 — CID 750704

IUPAC(5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccc(Cl)c2)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H8ClN3OS2/c16-10-4-1-3-9(7-10)8-12-14(20)19-15(22-12)17-13(18-19)11-5-2-6-21-11/h1-8H/b12-8-
InChIKeyVJDREOKOISAODZ-WQLSENKSSA-N
MW345.84 g/mol
LogP3.08
Rot. Bonds2

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

(5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 750704) has the molecular formula C15H8ClN3OS2 and a molecular weight of 345.84 g/mol. Its IUPAC name is (5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID750704
Molecular FormulaC15H8ClN3OS2
Molecular Weight345.84 g/mol
Exact Mass344.98
IUPAC Name(5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccc(Cl)c2)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H8ClN3OS2/c16-10-4-1-3-9(7-10)8-12-14(20)19-15(22-12)17-13(18-19)11-5-2-6-21-11/h1-8H/b12-8-
InChIKeyVJDREOKOISAODZ-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 750704) is (5Z)-5-[(3-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-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2cccc(Cl)c2)sc2nc(-c3cccs3)nn12.
What is the InChIKey of (5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is VJDREOKOISAODZ-WQLSENKSSA-N. The full InChI is InChI=1S/C15H8ClN3OS2/c16-10-4-1-3-9(7-10)8-12-14(20)19-15(22-12)17-13(18-19)11-5-2-6-21-11/h1-8H/b12-8-.
What are the key properties of (5Z)-5-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(3-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-[(3-chlorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 750704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).