2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

C10H17N3OS — CID 64862988

IUPAC2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCC(C)c1c[nH]c(=S)n1C(C)(C)C(N)=O
InChIInChI=1S/C10H17N3OS/c1-6(2)7-5-12-9(15)13(7)10(3,4)8(11)14/h5-6H,1-4H3,(H2,11,14)(H,12,15)
InChIKeyICNFUIGJTGUGFS-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.89
Rot. Bonds3

About 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide

2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (PubChem CID 64862988) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
PubChem CID64862988
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
SMILESCC(C)c1c[nH]c(=S)n1C(C)(C)C(N)=O
InChIInChI=1S/C10H17N3OS/c1-6(2)7-5-12-9(15)13(7)10(3,4)8(11)14/h5-6H,1-4H3,(H2,11,14)(H,12,15)
InChIKeyICNFUIGJTGUGFS-UHFFFAOYSA-N
XLogP1.89
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide 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 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The IUPAC name of 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide (CID 64862988) is 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The canonical SMILES for 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is CC(C)c1c[nH]c(=S)n1C(C)(C)C(N)=O.
What is the InChIKey of 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
The InChIKey is ICNFUIGJTGUGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)7-5-12-9(15)13(7)10(3,4)8(11)14/h5-6H,1-4H3,(H2,11,14)(H,12,15).
What are the key properties of 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide?
2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide has a molecular weight of 227.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 64862988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).