4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione

C11H20N2S — CID 11052977

IUPAC4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione
SMILESCc1c(C)n(C(C)C)c(=S)n1C(C)C
InChIInChI=1S/C11H20N2S/c1-7(2)12-9(5)10(6)13(8(3)4)11(12)14/h7-8H,1-6H3
InChIKeyJPIDCRQLZLICRG-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.80
Rot. Bonds2

About 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione

4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione (PubChem CID 11052977) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione.

Molecular Properties

Compound Name4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione
PubChem CID11052977
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione
SMILESCc1c(C)n(C(C)C)c(=S)n1C(C)C
InChIInChI=1S/C11H20N2S/c1-7(2)12-9(5)10(6)13(8(3)4)11(12)14/h7-8H,1-6H3
InChIKeyJPIDCRQLZLICRG-UHFFFAOYSA-N
XLogP3.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione 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 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione?
The IUPAC name of 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione (CID 11052977) is 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione.
What is the SMILES notation for 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione?
The canonical SMILES for 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione is Cc1c(C)n(C(C)C)c(=S)n1C(C)C.
What is the InChIKey of 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione?
The InChIKey is JPIDCRQLZLICRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-7(2)12-9(5)10(6)13(8(3)4)11(12)14/h7-8H,1-6H3.
What are the key properties of 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione?
4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione has a molecular weight of 212.36 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione is sourced from PubChem (CID 11052977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).