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

C19H14ClN3O2S — CID 3590320

IUPAC3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCOc1ccc(C=c2sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1
InChIInChI=1S/C19H14ClN3O2S/c1-2-25-15-9-3-12(4-10-15)11-16-18(24)23-17(21-22-19(23)26-16)13-5-7-14(20)8-6-13/h3-11H,2H2,1H3
InChIKeyWVOOLBBSCTWLPT-UHFFFAOYSA-N
MW383.86 g/mol
LogP3.42
Rot. Bonds4

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

3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 3590320) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID3590320
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCOc1ccc(C=c2sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1
InChIInChI=1S/C19H14ClN3O2S/c1-2-25-15-9-3-12(4-10-15)11-16-18(24)23-17(21-22-19(23)26-16)13-5-7-14(20)8-6-13/h3-11H,2H2,1H3
InChIKeyWVOOLBBSCTWLPT-UHFFFAOYSA-N
XLogP3.42
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E)-3-(4-chlorophenyl)-6-[(4-methylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2007006
(6E)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6371569
6-[(4-ethoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3653381
6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5143925
6-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4102155
(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5420523
(6Z)-6-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5294431
3-(4-bromophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3247639
6-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1239190
3-(4-chlorophenyl)-6-(furan-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3653379
(6E)-6-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2236350
6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4264083

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 3590320) is 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is CCOc1ccc(C=c2sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is WVOOLBBSCTWLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-2-25-15-9-3-12(4-10-15)11-16-18(24)23-17(21-22-19(23)26-16)13-5-7-14(20)8-6-13/h3-11H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 383.86 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 3590320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).