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

C5H10ClN3S — CID 54609696

IUPAC4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride
SMILESCl.NCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C5H9N3S.ClH/c6-2-1-4-3-7-5(9)8-4;/h3H,1-2,6H2,(H2,7,8,9);1H
InChIKeyJCSUXICYONJMEA-UHFFFAOYSA-N
MW179.68 g/mol
LogP1.00
Rot. Bonds2

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

4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride (PubChem CID 54609696) has the molecular formula C5H10ClN3S and a molecular weight of 179.68 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride
PubChem CID54609696
Molecular FormulaC5H10ClN3S
Molecular Weight179.68 g/mol
Exact Mass179.03
IUPAC Name4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride
SMILESCl.NCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C5H9N3S.ClH/c6-2-1-4-3-7-5(9)8-4;/h3H,1-2,6H2,(H2,7,8,9);1H
InChIKeyJCSUXICYONJMEA-UHFFFAOYSA-N
XLogP1.00
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.68
LogP ≤ 51.00
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;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride (CID 54609696) is 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride is Cl.NCCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride?
The InChIKey is JCSUXICYONJMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S.ClH/c6-2-1-4-3-7-5(9)8-4;/h3H,1-2,6H2,(H2,7,8,9);1H.
What are the key properties of 4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride?
4-(2-aminoethyl)-1,3-dihydroimidazole-2-thione;hydrochloride has a molecular weight of 179.68 g/mol, XLogP of 1.00, 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;hydrochloride is sourced from PubChem (CID 54609696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).