4-amino-1,3,5-trimethylimidazole-2-thione

C6H11N3S — CID 82647296

IUPAC4-amino-1,3,5-trimethylimidazole-2-thione
SMILESCc1c(N)n(C)c(=S)n1C
InChIInChI=1S/C6H11N3S/c1-4-5(7)9(3)6(10)8(4)2/h7H2,1-3H3
InChIKeyAVGZKGKFOWBHRL-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.98
Rot. Bonds

About 4-amino-1,3,5-trimethylimidazole-2-thione

4-amino-1,3,5-trimethylimidazole-2-thione (PubChem CID 82647296) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-amino-1,3,5-trimethylimidazole-2-thione.

Molecular Properties

Compound Name4-amino-1,3,5-trimethylimidazole-2-thione
PubChem CID82647296
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name4-amino-1,3,5-trimethylimidazole-2-thione
SMILESCc1c(N)n(C)c(=S)n1C
InChIInChI=1S/C6H11N3S/c1-4-5(7)9(3)6(10)8(4)2/h7H2,1-3H3
InChIKeyAVGZKGKFOWBHRL-UHFFFAOYSA-N
XLogP0.98
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 12503287
CID 12503287
CID 10057593
CID 10057593
CID 19826129
CID 19826129
CID 67341773
CID 67341773
CID 12468227
CID 12468227

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3,5-trimethylimidazole-2-thione?
The IUPAC name of 4-amino-1,3,5-trimethylimidazole-2-thione (CID 82647296) is 4-amino-1,3,5-trimethylimidazole-2-thione.
What is the SMILES notation for 4-amino-1,3,5-trimethylimidazole-2-thione?
The canonical SMILES for 4-amino-1,3,5-trimethylimidazole-2-thione is Cc1c(N)n(C)c(=S)n1C.
What is the InChIKey of 4-amino-1,3,5-trimethylimidazole-2-thione?
The InChIKey is AVGZKGKFOWBHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-4-5(7)9(3)6(10)8(4)2/h7H2,1-3H3.
What are the key properties of 4-amino-1,3,5-trimethylimidazole-2-thione?
4-amino-1,3,5-trimethylimidazole-2-thione has a molecular weight of 157.24 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3,5-trimethylimidazole-2-thione is sourced from PubChem (CID 82647296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).