(5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C13H7N3O2S2 — CID 6318421

IUPAC(5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccs2)sc2nc(-c3ccco3)nn12
InChIInChI=1S/C13H7N3O2S2/c17-12-10(7-8-3-2-6-19-8)20-13-14-11(15-16(12)13)9-4-1-5-18-9/h1-7H/b10-7-
InChIKeyIJGYPCNEKZCAMQ-YFHOEESVSA-N
MW301.35 g/mol
LogP2.02
Rot. Bonds2

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

(5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 6318421) has the molecular formula C13H7N3O2S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID6318421
Molecular FormulaC13H7N3O2S2
Molecular Weight301.35 g/mol
Exact Mass301.00
IUPAC Name(5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2cccs2)sc2nc(-c3ccco3)nn12
InChIInChI=1S/C13H7N3O2S2/c17-12-10(7-8-3-2-6-19-8)20-13-14-11(15-16(12)13)9-4-1-5-18-9/h1-7H/b10-7-
InChIKeyIJGYPCNEKZCAMQ-YFHOEESVSA-N
XLogP2.02
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[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)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 6318421) is (5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2cccs2)sc2nc(-c3ccco3)nn12.
What is the InChIKey of (5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is IJGYPCNEKZCAMQ-YFHOEESVSA-N. The full InChI is InChI=1S/C13H7N3O2S2/c17-12-10(7-8-3-2-6-19-8)20-13-14-11(15-16(12)13)9-4-1-5-18-9/h1-7H/b10-7-.
What are the key properties of (5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 301.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(furan-2-yl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 6318421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).