3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C8H5N3OS2 — CID 2817032

IUPAC3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=C1CSc2nnc(-c3cccs3)n21
InChIInChI=1S/C8H5N3OS2/c12-6-4-14-8-10-9-7(11(6)8)5-2-1-3-13-5/h1-3H,4H2
InChIKeySVVHMOOJVGXNIX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.75
Rot. Bonds1

About 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 2817032) has the molecular formula C8H5N3OS2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID2817032
Molecular FormulaC8H5N3OS2
Molecular Weight223.28 g/mol
Exact Mass222.99
IUPAC Name3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESO=C1CSc2nnc(-c3cccs3)n21
InChIInChI=1S/C8H5N3OS2/c12-6-4-14-8-10-9-7(11(6)8)5-2-1-3-13-5/h1-3H,4H2
InChIKeySVVHMOOJVGXNIX-UHFFFAOYSA-N
XLogP1.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-thiophen-2-yl-[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

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 2817032) is 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is O=C1CSc2nnc(-c3cccs3)n21.
What is the InChIKey of 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is SVVHMOOJVGXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3OS2/c12-6-4-14-8-10-9-7(11(6)8)5-2-1-3-13-5/h1-3H,4H2.
What are the key properties of 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 223.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 2817032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).