1,4,5-trimethyl-2-methylsulfanylimidazole

C7H12N2S — CID 12503289

IUPAC1,4,5-trimethyl-2-methylsulfanylimidazole
SMILESCSc1nc(C)c(C)n1C
InChIInChI=1S/C7H12N2S/c1-5-6(2)9(3)7(8-5)10-4/h1-4H3
InChIKeyFUOKRCRWHFSNOG-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.76
Rot. Bonds1

About 1,4,5-trimethyl-2-methylsulfanylimidazole

1,4,5-trimethyl-2-methylsulfanylimidazole (PubChem CID 12503289) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1,4,5-trimethyl-2-methylsulfanylimidazole.

Molecular Properties

Compound Name1,4,5-trimethyl-2-methylsulfanylimidazole
PubChem CID12503289
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1,4,5-trimethyl-2-methylsulfanylimidazole
SMILESCSc1nc(C)c(C)n1C
InChIInChI=1S/C7H12N2S/c1-5-6(2)9(3)7(8-5)10-4/h1-4H3
InChIKeyFUOKRCRWHFSNOG-UHFFFAOYSA-N
XLogP1.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4,5-trimethyl-2-methylsulfanylimidazole 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 1,4,5-trimethyl-2-methylsulfanylimidazole?
The IUPAC name of 1,4,5-trimethyl-2-methylsulfanylimidazole (CID 12503289) is 1,4,5-trimethyl-2-methylsulfanylimidazole.
What is the SMILES notation for 1,4,5-trimethyl-2-methylsulfanylimidazole?
The canonical SMILES for 1,4,5-trimethyl-2-methylsulfanylimidazole is CSc1nc(C)c(C)n1C.
What is the InChIKey of 1,4,5-trimethyl-2-methylsulfanylimidazole?
The InChIKey is FUOKRCRWHFSNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5-6(2)9(3)7(8-5)10-4/h1-4H3.
What are the key properties of 1,4,5-trimethyl-2-methylsulfanylimidazole?
1,4,5-trimethyl-2-methylsulfanylimidazole has a molecular weight of 156.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2-methylsulfanylimidazole is sourced from PubChem (CID 12503289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).