5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine

C17H24N6O2S2 — CID 58264408

IUPAC5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine
SMILESNc1ncc(CCCCCc2cn(CCCS(=O)(=O)c3cccs3)nn2)[nH]1
InChIInChI=1S/C17H24N6O2S2/c18-17-19-12-14(20-17)6-2-1-3-7-15-13-23(22-21-15)9-5-11-27(24,25)16-8-4-10-26-16/h4,8,10,12-13H,1-3,5-7,9,11H2,(H3,18,19,20)
InChIKeyIRZDUKUZVURDGT-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.46
Rot. Bonds11

About 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine

5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine (PubChem CID 58264408) has the molecular formula C17H24N6O2S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine
PubChem CID58264408
Molecular FormulaC17H24N6O2S2
Molecular Weight408.55 g/mol
Exact Mass408.14
IUPAC Name5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine
SMILESNc1ncc(CCCCCc2cn(CCCS(=O)(=O)c3cccs3)nn2)[nH]1
InChIInChI=1S/C17H24N6O2S2/c18-17-19-12-14(20-17)6-2-1-3-7-15-13-23(22-21-15)9-5-11-27(24,25)16-8-4-10-26-16/h4,8,10,12-13H,1-3,5-7,9,11H2,(H3,18,19,20)
InChIKeyIRZDUKUZVURDGT-UHFFFAOYSA-N
XLogP2.46
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine (CID 58264408) is 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine is Nc1ncc(CCCCCc2cn(CCCS(=O)(=O)c3cccs3)nn2)[nH]1.
What is the InChIKey of 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine?
The InChIKey is IRZDUKUZVURDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S2/c18-17-19-12-14(20-17)6-2-1-3-7-15-13-23(22-21-15)9-5-11-27(24,25)16-8-4-10-26-16/h4,8,10,12-13H,1-3,5-7,9,11H2,(H3,18,19,20).
What are the key properties of 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine?
5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine has a molecular weight of 408.55 g/mol, XLogP of 2.46, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(3-thiophen-2-ylsulfonylpropyl)triazol-4-yl]pentyl]-1H-imidazol-2-amine is sourced from PubChem (CID 58264408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).