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

C20H17N3O2S — CID 3403665

IUPAC6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCOc1ccccc1C=c1sc2nnc(-c3cccc(C)c3)n2c1=O
InChIInChI=1S/C20H17N3O2S/c1-3-25-16-10-5-4-8-14(16)12-17-19(24)23-18(21-22-20(23)26-17)15-9-6-7-13(2)11-15/h4-12H,3H2,1-2H3
InChIKeySPQLFTKLLWYXHH-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.07
Rot. Bonds4

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

6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 3403665) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID3403665
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCOc1ccccc1C=c1sc2nnc(-c3cccc(C)c3)n2c1=O
InChIInChI=1S/C20H17N3O2S/c1-3-25-16-10-5-4-8-14(16)12-17-19(24)23-18(21-22-20(23)26-17)15-9-6-7-13(2)11-15/h4-12H,3H2,1-2H3
InChIKeySPQLFTKLLWYXHH-UHFFFAOYSA-N
XLogP3.07
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6Z)-6-[(2-ethoxyphenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 926133
(6Z)-6-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5294431
(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6010358
(6Z)-6-[(2,4-dimethoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1042450
(6E)-6-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2236350
6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 937809
2-(3,4-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3398599
(6E)-6-[[2-(4-methylphenoxy)phenyl]methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 91972496
5-[(2-ethoxyphenyl)methylidene]-2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3656487
6-[(4-ethoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3653381
(6Z)-3-(2-methylphenyl)-6-[(2,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6249878
(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 124536900

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 3403665) is 6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is CCOc1ccccc1C=c1sc2nnc(-c3cccc(C)c3)n2c1=O.
What is the InChIKey of 6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is SPQLFTKLLWYXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-3-25-16-10-5-4-8-14(16)12-17-19(24)23-18(21-22-20(23)26-17)15-9-6-7-13(2)11-15/h4-12H,3H2,1-2H3.
What are the key properties of 6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 363.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 3403665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).