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

C17H9Cl2N3OS — CID 4264083

IUPAC6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2nnc(-c3ccccc3)n12
InChIInChI=1S/C17H9Cl2N3OS/c18-12-7-6-10(8-13(12)19)9-14-16(23)22-15(20-21-17(22)24-14)11-4-2-1-3-5-11/h1-9H
InChIKeyZBNHNKXKWUXOFV-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.67
Rot. Bonds2

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

6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 4264083) has the molecular formula C17H9Cl2N3OS and a molecular weight of 374.25 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID4264083
Molecular FormulaC17H9Cl2N3OS
Molecular Weight374.25 g/mol
Exact Mass372.98
IUPAC Name6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2nnc(-c3ccccc3)n12
InChIInChI=1S/C17H9Cl2N3OS/c18-12-7-6-10(8-13(12)19)9-14-16(23)22-15(20-21-17(22)24-14)11-4-2-1-3-5-11/h1-9H
InChIKeyZBNHNKXKWUXOFV-UHFFFAOYSA-N
XLogP3.67
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6049577
(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6010358
(6E)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6371569
6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3746185
(6E)-6-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2236350
(6E)-3-(4-chlorophenyl)-6-[(4-methylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2007006
methyl 4-[(5-oxo-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-ylidene)methyl]benzoate
CID 1256345
(6Z)-6-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5294431
(6E)-3-phenyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2033029
6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 937809
6-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1239190
6-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4102155

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 4264083) is 6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is O=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2nnc(-c3ccccc3)n12.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is ZBNHNKXKWUXOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3OS/c18-12-7-6-10(8-13(12)19)9-14-16(23)22-15(20-21-17(22)24-14)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 374.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 4264083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).