4-amino-3,5-dimethyl-1H-imidazole-2-thione

C5H9N3S — CID 19826129

IUPAC4-amino-3,5-dimethyl-1H-imidazole-2-thione
SMILESCc1[nH]c(=S)n(C)c1N
InChIInChI=1S/C5H9N3S/c1-3-4(6)8(2)5(9)7-3/h6H2,1-2H3,(H,7,9)
InChIKeyLGMMVNLHIAWCAW-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.97
Rot. Bonds

About 4-amino-3,5-dimethyl-1H-imidazole-2-thione

4-amino-3,5-dimethyl-1H-imidazole-2-thione (PubChem CID 19826129) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 4-amino-3,5-dimethyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-amino-3,5-dimethyl-1H-imidazole-2-thione
PubChem CID19826129
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name4-amino-3,5-dimethyl-1H-imidazole-2-thione
SMILESCc1[nH]c(=S)n(C)c1N
InChIInChI=1S/C5H9N3S/c1-3-4(6)8(2)5(9)7-3/h6H2,1-2H3,(H,7,9)
InChIKeyLGMMVNLHIAWCAW-UHFFFAOYSA-N
XLogP0.97
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-3,5-dimethyl-1H-imidazole-2-thione?
The IUPAC name of 4-amino-3,5-dimethyl-1H-imidazole-2-thione (CID 19826129) is 4-amino-3,5-dimethyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-amino-3,5-dimethyl-1H-imidazole-2-thione?
The canonical SMILES for 4-amino-3,5-dimethyl-1H-imidazole-2-thione is Cc1[nH]c(=S)n(C)c1N.
What is the InChIKey of 4-amino-3,5-dimethyl-1H-imidazole-2-thione?
The InChIKey is LGMMVNLHIAWCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3-4(6)8(2)5(9)7-3/h6H2,1-2H3,(H,7,9).
What are the key properties of 4-amino-3,5-dimethyl-1H-imidazole-2-thione?
4-amino-3,5-dimethyl-1H-imidazole-2-thione has a molecular weight of 143.21 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dimethyl-1H-imidazole-2-thione is sourced from PubChem (CID 19826129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).