5-(5-benzylthiophen-2-yl)-1-methyltetrazole

C13H12N4S — CID 54401329

IUPAC5-(5-benzylthiophen-2-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1ccc(Cc2ccccc2)s1
InChIInChI=1S/C13H12N4S/c1-17-13(14-15-16-17)12-8-7-11(18-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyVNQHOZBUWUONDS-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.53
Rot. Bonds3

About 5-(5-benzylthiophen-2-yl)-1-methyltetrazole

5-(5-benzylthiophen-2-yl)-1-methyltetrazole (PubChem CID 54401329) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(5-benzylthiophen-2-yl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(5-benzylthiophen-2-yl)-1-methyltetrazole
PubChem CID54401329
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name5-(5-benzylthiophen-2-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1ccc(Cc2ccccc2)s1
InChIInChI=1S/C13H12N4S/c1-17-13(14-15-16-17)12-8-7-11(18-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyVNQHOZBUWUONDS-UHFFFAOYSA-N
XLogP2.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(5-benzylthiophen-2-yl)-1-methyltetrazole 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 5-(5-benzylthiophen-2-yl)-1-methyltetrazole?
The IUPAC name of 5-(5-benzylthiophen-2-yl)-1-methyltetrazole (CID 54401329) is 5-(5-benzylthiophen-2-yl)-1-methyltetrazole.
What is the SMILES notation for 5-(5-benzylthiophen-2-yl)-1-methyltetrazole?
The canonical SMILES for 5-(5-benzylthiophen-2-yl)-1-methyltetrazole is Cn1nnnc1-c1ccc(Cc2ccccc2)s1.
What is the InChIKey of 5-(5-benzylthiophen-2-yl)-1-methyltetrazole?
The InChIKey is VNQHOZBUWUONDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-17-13(14-15-16-17)12-8-7-11(18-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 5-(5-benzylthiophen-2-yl)-1-methyltetrazole?
5-(5-benzylthiophen-2-yl)-1-methyltetrazole has a molecular weight of 256.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-benzylthiophen-2-yl)-1-methyltetrazole is sourced from PubChem (CID 54401329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).