3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H10N6OS — CID 2975342

IUPAC3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1
InChIInChI=1S/C15H10N6OS/c1-2-5-11-10(4-1)16-9-20(11)8-13-17-18-15-21(13)19-14(23-15)12-6-3-7-22-12/h1-7,9H,8H2
InChIKeyIBCQNRZHNRNQGN-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.84
Rot. Bonds3

About 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 2975342) has the molecular formula C15H10N6OS and a molecular weight of 322.35 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID2975342
Molecular FormulaC15H10N6OS
Molecular Weight322.35 g/mol
Exact Mass322.06
IUPAC Name3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1coc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1
InChIInChI=1S/C15H10N6OS/c1-2-5-11-10(4-1)16-9-20(11)8-13-17-18-15-21(13)19-14(23-15)12-6-3-7-22-12/h1-7,9H,8H2
InChIKeyIBCQNRZHNRNQGN-UHFFFAOYSA-N
XLogP2.84
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 2975342) is 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1coc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is IBCQNRZHNRNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6OS/c1-2-5-11-10(4-1)16-9-20(11)8-13-17-18-15-21(13)19-14(23-15)12-6-3-7-22-12/h1-7,9H,8H2.
What are the key properties of 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 322.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 2975342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).