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

C17H8Cl2FN3OS — CID 3726780

IUPAC5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1c(=Cc2c(Cl)cccc2Cl)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C17H8Cl2FN3OS/c18-12-2-1-3-13(19)11(12)8-14-16(24)23-17(25-14)21-15(22-23)9-4-6-10(20)7-5-9/h1-8H
InChIKeyLXIZKVKWBOYBLR-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.81
Rot. Bonds2

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

5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3726780) has the molecular formula C17H8Cl2FN3OS and a molecular weight of 392.24 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID3726780
Molecular FormulaC17H8Cl2FN3OS
Molecular Weight392.24 g/mol
Exact Mass390.97
IUPAC Name5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1c(=Cc2c(Cl)cccc2Cl)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C17H8Cl2FN3OS/c18-12-2-1-3-13(19)11(12)8-14-16(24)23-17(25-14)21-15(22-23)9-4-6-10(20)7-5-9/h1-8H
InChIKeyLXIZKVKWBOYBLR-UHFFFAOYSA-N
XLogP3.81
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2188477
2-(4-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3140321
(5Z)-2-(4-fluorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 933230
(5Z)-2-(4-fluorophenyl)-5-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 931377
5-[(2,6-dichlorophenyl)methylidene]-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3811718
(5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6533210
5-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-prop-2-enoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4988306
(5Z)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 938463
(5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2139203
2-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3721538
(5E)-5-[(2-chlorophenyl)methylidene]-2-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10326254
(5Z)-2-(4-fluorophenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1423190

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 3726780) is 5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1c(=Cc2c(Cl)cccc2Cl)sc2nc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is LXIZKVKWBOYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2FN3OS/c18-12-2-1-3-13(19)11(12)8-14-16(24)23-17(25-14)21-15(22-23)9-4-6-10(20)7-5-9/h1-8H.
What are the key properties of 5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 392.24 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3726780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).