3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine

C7H13N3S — CID 62081509

IUPAC3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine
SMILESCSCCc1ncn(C)c1N
InChIInChI=1S/C7H13N3S/c1-10-5-9-6(7(10)8)3-4-11-2/h5H,3-4,8H2,1-2H3
InChIKeyWFRCSLMSOGULTK-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.91
Rot. Bonds3

About 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine

3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine (PubChem CID 62081509) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine
PubChem CID62081509
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine
SMILESCSCCc1ncn(C)c1N
InChIInChI=1S/C7H13N3S/c1-10-5-9-6(7(10)8)3-4-11-2/h5H,3-4,8H2,1-2H3
InChIKeyWFRCSLMSOGULTK-UHFFFAOYSA-N
XLogP0.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine?
The IUPAC name of 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine (CID 62081509) is 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine.
What is the SMILES notation for 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine?
The canonical SMILES for 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine is CSCCc1ncn(C)c1N.
What is the InChIKey of 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine?
The InChIKey is WFRCSLMSOGULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-10-5-9-6(7(10)8)3-4-11-2/h5H,3-4,8H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine?
3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine has a molecular weight of 171.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine is sourced from PubChem (CID 62081509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).