4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

C19H16N4S2 — CID 11257049

IUPAC4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
SMILESc1ccc(Cn2c(SCc3ccncc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C19H16N4S2/c1-2-5-15(6-3-1)13-23-18(17-7-4-12-24-17)21-22-19(23)25-14-16-8-10-20-11-9-16/h1-12H,13-14H2
InChIKeyJVDKXLYIYKZCNJ-UHFFFAOYSA-N
MW364.50 g/mol
LogP4.74
Rot. Bonds6

About 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (PubChem CID 11257049) has the molecular formula C19H16N4S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
PubChem CID11257049
Molecular FormulaC19H16N4S2
Molecular Weight364.50 g/mol
Exact Mass364.08
IUPAC Name4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
SMILESc1ccc(Cn2c(SCc3ccncc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C19H16N4S2/c1-2-5-15(6-3-1)13-23-18(17-7-4-12-24-17)21-22-19(23)25-14-16-8-10-20-11-9-16/h1-12H,13-14H2
InChIKeyJVDKXLYIYKZCNJ-UHFFFAOYSA-N
XLogP4.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine 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 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The IUPAC name of 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (CID 11257049) is 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is c1ccc(Cn2c(SCc3ccncc3)nnc2-c2cccs2)cc1.
What is the InChIKey of 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The InChIKey is JVDKXLYIYKZCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S2/c1-2-5-15(6-3-1)13-23-18(17-7-4-12-24-17)21-22-19(23)25-14-16-8-10-20-11-9-16/h1-12H,13-14H2.
What are the key properties of 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine has a molecular weight of 364.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 11257049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).