2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole

C13H16N4S — CID 172619532

IUPAC2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole
SMILESC=Cc1ccc(Cn2nnc(SCCC)n2)cc1
InChIInChI=1S/C13H16N4S/c1-3-9-18-13-14-16-17(15-13)10-12-7-5-11(4-2)6-8-12/h4-8H,2-3,9-10H2,1H3
InChIKeyGXSRJOZWUWCCEL-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.87
Rot. Bonds6

About 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole

2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole (PubChem CID 172619532) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole
PubChem CID172619532
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole
SMILESC=Cc1ccc(Cn2nnc(SCCC)n2)cc1
InChIInChI=1S/C13H16N4S/c1-3-9-18-13-14-16-17(15-13)10-12-7-5-11(4-2)6-8-12/h4-8H,2-3,9-10H2,1H3
InChIKeyGXSRJOZWUWCCEL-UHFFFAOYSA-N
XLogP2.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole 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

2-[(4-ethenylphenyl)methyl]-5-hexylsulfanyltetrazole
CID 172619685
2-[(4-ethenylphenyl)methyl]-5-propyltetrazole
CID 172619544
2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine
CID 172619680
5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole
CID 172619573
2-[(4-ethenylphenyl)methyl]-5-[9-[2-[(4-ethenylphenyl)methyl]tetrazol-5-yl]nonyl]tetrazole
CID 172619655
1-[(4-ethenylphenyl)methyl]-5-pentylsulfanyltetrazole
CID 172619569
2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole
CID 172619805
2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine
CID 172619622
1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole
CID 172619601
5-bromo-1-[(4-ethenylphenyl)methyl]-3-phenyl-1,2,4-triazole
CID 172619561
1-[(4-ethenylphenyl)methyl]-4-methyl-3,5-bis(4-methylphenyl)pyrazole
CID 19586760
3-dodecyl-1-[(4-ethenylphenyl)methyl]-1,2,4-triazole
CID 172619669

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole?
The IUPAC name of 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole (CID 172619532) is 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole.
What is the SMILES notation for 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole?
The canonical SMILES for 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole is C=Cc1ccc(Cn2nnc(SCCC)n2)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole?
The InChIKey is GXSRJOZWUWCCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-3-9-18-13-14-16-17(15-13)10-12-7-5-11(4-2)6-8-12/h4-8H,2-3,9-10H2,1H3.
What are the key properties of 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole?
2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole has a molecular weight of 260.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole is sourced from PubChem (CID 172619532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).