(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C20H19N3O4S — CID 2143534

IUPAC(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCCCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC
InChIInChI=1S/C20H19N3O4S/c1-3-9-26-14-8-7-13(11-16(14)25-4-2)12-17-19(24)23-20(28-17)21-18(22-23)15-6-5-10-27-15/h5-8,10-12H,3-4,9H2,1-2H3/b17-12-
InChIKeyCSPFHQICWWLYPK-ATVHPVEESA-N
MW397.46 g/mol
LogP3.15
Rot. Bonds7

About (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 2143534) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID2143534
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCCCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC
InChIInChI=1S/C20H19N3O4S/c1-3-9-26-14-8-7-13(11-16(14)25-4-2)12-17-19(24)23-20(28-17)21-18(22-23)15-6-5-10-27-15/h5-8,10-12H,3-4,9H2,1-2H3/b17-12-
InChIKeyCSPFHQICWWLYPK-ATVHPVEESA-N
XLogP3.15
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 2143534) is (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CCCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC.
What is the InChIKey of (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is CSPFHQICWWLYPK-ATVHPVEESA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-3-9-26-14-8-7-13(11-16(14)25-4-2)12-17-19(24)23-20(28-17)21-18(22-23)15-6-5-10-27-15/h5-8,10-12H,3-4,9H2,1-2H3/b17-12-.
What are the key properties of (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 397.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 2143534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).