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

C17H9ClFN3OS — CID 6533210

IUPAC(5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccc(F)c2)sc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C17H9ClFN3OS/c18-12-6-4-11(5-7-12)15-20-17-22(21-15)16(23)14(24-17)9-10-2-1-3-13(19)8-10/h1-9H/b14-9-
InChIKeyYOBFNVBKXGMFEC-ZROIWOOFSA-N
MW357.80 g/mol
LogP3.16
Rot. Bonds2

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

(5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 6533210) has the molecular formula C17H9ClFN3OS and a molecular weight of 357.80 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID6533210
Molecular FormulaC17H9ClFN3OS
Molecular Weight357.80 g/mol
Exact Mass357.01
IUPAC Name(5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccc(F)c2)sc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C17H9ClFN3OS/c18-12-6-4-11(5-7-12)15-20-17-22(21-15)16(23)14(24-17)9-10-2-1-3-13(19)8-10/h1-9H/b14-9-
InChIKeyYOBFNVBKXGMFEC-ZROIWOOFSA-N
XLogP3.16
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 6533210) is (5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2cccc(F)c2)sc2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of (5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is YOBFNVBKXGMFEC-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H9ClFN3OS/c18-12-6-4-11(5-7-12)15-20-17-22(21-15)16(23)14(24-17)9-10-2-1-3-13(19)8-10/h1-9H/b14-9-.
What are the key properties of (5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 357.80 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 6533210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).