5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine

C11H13N7S — CID 58528193

IUPAC5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2nnn(CCc3ccsc3)n2)[nH]1
InChIInChI=1S/C11H13N7S/c12-11-13-6-9(14-11)5-10-15-17-18(16-10)3-1-8-2-4-19-7-8/h2,4,6-7H,1,3,5H2,(H3,12,13,14)
InChIKeyVOJWGHHKDYIUNM-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.87
Rot. Bonds5

About 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine

5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine (PubChem CID 58528193) has the molecular formula C11H13N7S and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
PubChem CID58528193
Molecular FormulaC11H13N7S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2nnn(CCc3ccsc3)n2)[nH]1
InChIInChI=1S/C11H13N7S/c12-11-13-6-9(14-11)5-10-15-17-18(16-10)3-1-8-2-4-19-7-8/h2,4,6-7H,1,3,5H2,(H3,12,13,14)
InChIKeyVOJWGHHKDYIUNM-UHFFFAOYSA-N
XLogP0.87
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine 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-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine (CID 58528193) is 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine is Nc1ncc(Cc2nnn(CCc3ccsc3)n2)[nH]1.
What is the InChIKey of 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
The InChIKey is VOJWGHHKDYIUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7S/c12-11-13-6-9(14-11)5-10-15-17-18(16-10)3-1-8-2-4-19-7-8/h2,4,6-7H,1,3,5H2,(H3,12,13,14).
What are the key properties of 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine has a molecular weight of 275.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-thiophen-3-ylethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 58528193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).