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

C15H7ClFN3OS2 — CID 1304882

IUPAC(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2c(F)cccc2Cl)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H7ClFN3OS2/c16-9-3-1-4-10(17)8(9)7-12-14(21)20-15(23-12)18-13(19-20)11-5-2-6-22-11/h1-7H/b12-7-
InChIKeyNNSGOAYDKFNKLZ-GHXNOFRVSA-N
MW363.83 g/mol
LogP3.22
Rot. Bonds2

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

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 1304882) has the molecular formula C15H7ClFN3OS2 and a molecular weight of 363.83 g/mol. Its IUPAC name is (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID1304882
Molecular FormulaC15H7ClFN3OS2
Molecular Weight363.83 g/mol
Exact Mass362.97
IUPAC Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2c(F)cccc2Cl)sc2nc(-c3cccs3)nn12
InChIInChI=1S/C15H7ClFN3OS2/c16-9-3-1-4-10(17)8(9)7-12-14(21)20-15(23-12)18-13(19-20)11-5-2-6-22-11/h1-7H/b12-7-
InChIKeyNNSGOAYDKFNKLZ-GHXNOFRVSA-N
XLogP3.22
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 1304882) is (5Z)-5-[(2-chloro-6-fluorophenyl)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-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2c(F)cccc2Cl)sc2nc(-c3cccs3)nn12.
What is the InChIKey of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is NNSGOAYDKFNKLZ-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H7ClFN3OS2/c16-9-3-1-4-10(17)8(9)7-12-14(21)20-15(23-12)18-13(19-20)11-5-2-6-22-11/h1-7H/b12-7-.
What are the key properties of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 363.83 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 1304882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).