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

C10H11N7S — CID 58528196

IUPAC5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2nnn(Cc3ccsc3)n2)[nH]1
InChIInChI=1S/C10H11N7S/c11-10-12-4-8(13-10)3-9-14-16-17(15-9)5-7-1-2-18-6-7/h1-2,4,6H,3,5H2,(H3,11,12,13)
InChIKeyKRYFRRGRWYPSTI-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.68
Rot. Bonds4

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

5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine (PubChem CID 58528196) has the molecular formula C10H11N7S and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
PubChem CID58528196
Molecular FormulaC10H11N7S
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC Name5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2nnn(Cc3ccsc3)n2)[nH]1
InChIInChI=1S/C10H11N7S/c11-10-12-4-8(13-10)3-9-14-16-17(15-9)5-7-1-2-18-6-7/h1-2,4,6H,3,5H2,(H3,11,12,13)
InChIKeyKRYFRRGRWYPSTI-UHFFFAOYSA-N
XLogP0.68
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine (CID 58528196) is 5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine is Nc1ncc(Cc2nnn(Cc3ccsc3)n2)[nH]1.
What is the InChIKey of 5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
The InChIKey is KRYFRRGRWYPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7S/c11-10-12-4-8(13-10)3-9-14-16-17(15-9)5-7-1-2-18-6-7/h1-2,4,6H,3,5H2,(H3,11,12,13).
What are the key properties of 5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine has a molecular weight of 261.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(thiophen-3-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 58528196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).