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

C20H17N3O2S — CID 5143925

IUPAC6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCOc1ccc(C=c2sc3nnc(-c4ccccc4C)n3c2=O)cc1
InChIInChI=1S/C20H17N3O2S/c1-3-25-15-10-8-14(9-11-15)12-17-19(24)23-18(21-22-20(23)26-17)16-7-5-4-6-13(16)2/h4-12H,3H2,1-2H3
InChIKeyLGXIBVSSUQRNKD-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.07
Rot. Bonds4

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

6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 5143925) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID5143925
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCOc1ccc(C=c2sc3nnc(-c4ccccc4C)n3c2=O)cc1
InChIInChI=1S/C20H17N3O2S/c1-3-25-15-10-8-14(9-11-15)12-17-19(24)23-18(21-22-20(23)26-17)16-7-5-4-6-13(16)2/h4-12H,3H2,1-2H3
InChIKeyLGXIBVSSUQRNKD-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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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 5143925) is 6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is CCOc1ccc(C=c2sc3nnc(-c4ccccc4C)n3c2=O)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is LGXIBVSSUQRNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-3-25-15-10-8-14(9-11-15)12-17-19(24)23-18(21-22-20(23)26-17)16-7-5-4-6-13(16)2/h4-12H,3H2,1-2H3.
What are the key properties of 6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
6-[(4-ethoxyphenyl)methylidene]-3-(2-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-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 5143925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).