3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole

C18H13N3S — CID 855943

IUPAC3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3cccs3)n2-c2ccccc2)cc1
InChIInChI=1S/C18H13N3S/c1-3-8-14(9-4-1)17-19-20-18(16-12-7-13-22-16)21(17)15-10-5-2-6-11-15/h1-13H
InChIKeyHGHQWOOJEJSSDM-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.66
Rot. Bonds3

About 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole

3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole (PubChem CID 855943) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole
PubChem CID855943
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC Name3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3cccs3)n2-c2ccccc2)cc1
InChIInChI=1S/C18H13N3S/c1-3-8-14(9-4-1)17-19-20-18(16-12-7-13-22-16)21(17)15-10-5-2-6-11-15/h1-13H
InChIKeyHGHQWOOJEJSSDM-UHFFFAOYSA-N
XLogP4.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole 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 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole?
The IUPAC name of 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole (CID 855943) is 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole.
What is the SMILES notation for 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole?
The canonical SMILES for 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole is c1ccc(-c2nnc(-c3cccs3)n2-c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole?
The InChIKey is HGHQWOOJEJSSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S/c1-3-8-14(9-4-1)17-19-20-18(16-12-7-13-22-16)21(17)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole?
3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole has a molecular weight of 303.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-5-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 855943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).