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

C17H8Cl3N3OS — CID 6049577

IUPAC(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2nnc(-c3cccc(Cl)c3)n12
InChIInChI=1S/C17H8Cl3N3OS/c18-11-3-1-2-10(8-11)15-21-22-17-23(15)16(24)14(25-17)7-9-4-5-12(19)13(20)6-9/h1-8H/b14-7-
InChIKeyHGCGLHRZQREBBY-AUWJEWJLSA-N
MW408.70 g/mol
LogP4.33
Rot. Bonds2

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

(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 6049577) has the molecular formula C17H8Cl3N3OS and a molecular weight of 408.70 g/mol. Its IUPAC name is (6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID6049577
Molecular FormulaC17H8Cl3N3OS
Molecular Weight408.70 g/mol
Exact Mass406.95
IUPAC Name(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2nnc(-c3cccc(Cl)c3)n12
InChIInChI=1S/C17H8Cl3N3OS/c18-11-3-1-2-10(8-11)15-21-22-17-23(15)16(24)14(25-17)7-9-4-5-12(19)13(20)6-9/h1-8H/b14-7-
InChIKeyHGCGLHRZQREBBY-AUWJEWJLSA-N
XLogP4.33
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.70
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 6049577) is (6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is O=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2nnc(-c3cccc(Cl)c3)n12.
What is the InChIKey of (6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is HGCGLHRZQREBBY-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H8Cl3N3OS/c18-11-3-1-2-10(8-11)15-21-22-17-23(15)16(24)14(25-17)7-9-4-5-12(19)13(20)6-9/h1-8H/b14-7-.
What are the key properties of (6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 408.70 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 6049577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).