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

C5H9N3S — CID 4273962

IUPAC4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione
SMILESNCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C5H9N3S/c6-2-1-4-3-7-5(9)8-4/h3H,1-2,6H2,(H2,7,8,9)
InChIKeySFZYNXNLAHPVSL-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.57
Rot. Bonds2

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

4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 4273962) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione
PubChem CID4273962
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione
SMILESNCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C5H9N3S/c6-2-1-4-3-7-5(9)8-4/h3H,1-2,6H2,(H2,7,8,9)
InChIKeySFZYNXNLAHPVSL-UHFFFAOYSA-N
XLogP0.57
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.57
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-(2-aminoethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione (CID 4273962) is 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione is NCCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is SFZYNXNLAHPVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c6-2-1-4-3-7-5(9)8-4/h3H,1-2,6H2,(H2,7,8,9).
What are the key properties of 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione?
4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 143.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 4273962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).