4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione

C6H11N3S — CID 15294717

IUPAC4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione
SMILESNCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H11N3S/c7-3-1-2-5-4-8-6(10)9-5/h4H,1-3,7H2,(H2,8,9,10)
InChIKeyYJAIDQCCHCWHSO-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.96
Rot. Bonds3

About 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione

4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione (PubChem CID 15294717) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione
PubChem CID15294717
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione
SMILESNCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H11N3S/c7-3-1-2-5-4-8-6(10)9-5/h4H,1-3,7H2,(H2,8,9,10)
InChIKeyYJAIDQCCHCWHSO-UHFFFAOYSA-N
XLogP0.96
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione (CID 15294717) is 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione is NCCCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is YJAIDQCCHCWHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c7-3-1-2-5-4-8-6(10)9-5/h4H,1-3,7H2,(H2,8,9,10).
What are the key properties of 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione?
4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 157.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 15294717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).