1-benzyl-5-thiophen-2-yltetrazole

C12H10N4S — CID 561448

IUPAC1-benzyl-5-thiophen-2-yltetrazole
SMILESc1ccc(Cn2nnnc2-c2cccs2)cc1
InChIInChI=1S/C12H10N4S/c1-2-5-10(6-3-1)9-16-12(13-14-15-16)11-7-4-8-17-11/h1-8H,9H2
InChIKeyBDZFZUKXGZDPJE-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.45
Rot. Bonds3

About 1-benzyl-5-thiophen-2-yltetrazole

1-benzyl-5-thiophen-2-yltetrazole (PubChem CID 561448) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-benzyl-5-thiophen-2-yltetrazole.

Molecular Properties

Compound Name1-benzyl-5-thiophen-2-yltetrazole
PubChem CID561448
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name1-benzyl-5-thiophen-2-yltetrazole
SMILESc1ccc(Cn2nnnc2-c2cccs2)cc1
InChIInChI=1S/C12H10N4S/c1-2-5-10(6-3-1)9-16-12(13-14-15-16)11-7-4-8-17-11/h1-8H,9H2
InChIKeyBDZFZUKXGZDPJE-UHFFFAOYSA-N
XLogP2.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-5-thiophen-2-yltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
CID 662988
Benzyl-[1-(1-tert-butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiophen-2-ylmethyl-amine
CID 648935
3-Benzylsulfanyl-4-ethyl-5-thiophen-2-yl-1,2,4-triazole
CID 936961
4-(Phenylmethyl)-3-[(phenylmethyl)thio]-5-(2-thienyl)-4H-1,2,4-triazole
CID 11405834
1-Ethyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 647074
1-Cyclohexyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 650502
4-Benzyl-1-[(1-cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperidine
CID 651241
N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine
CID 654196
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-azepane
CID 654539
1-Cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 655925
Benzyl-[(1-cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-(4-fluoro-benzyl)-amine
CID 3193725
1-Cyclopentyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6602655

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-thiophen-2-yltetrazole?
The IUPAC name of 1-benzyl-5-thiophen-2-yltetrazole (CID 561448) is 1-benzyl-5-thiophen-2-yltetrazole.
What is the SMILES notation for 1-benzyl-5-thiophen-2-yltetrazole?
The canonical SMILES for 1-benzyl-5-thiophen-2-yltetrazole is c1ccc(Cn2nnnc2-c2cccs2)cc1.
What is the InChIKey of 1-benzyl-5-thiophen-2-yltetrazole?
The InChIKey is BDZFZUKXGZDPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-2-5-10(6-3-1)9-16-12(13-14-15-16)11-7-4-8-17-11/h1-8H,9H2.
What are the key properties of 1-benzyl-5-thiophen-2-yltetrazole?
1-benzyl-5-thiophen-2-yltetrazole has a molecular weight of 242.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-thiophen-2-yltetrazole is sourced from PubChem (CID 561448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).