2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide

C11H19N3OS — CID 64863551

IUPAC2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C11H19N3OS/c1-4-5-12-10(15)7-14-9(8(2)3)6-13-11(14)16/h6,8H,4-5,7H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyRLYBCJRSIDHNKT-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.20
Rot. Bonds5

About 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide

2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide (PubChem CID 64863551) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide
PubChem CID64863551
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C(C)C)c[nH]c1=S
InChIInChI=1S/C11H19N3OS/c1-4-5-12-10(15)7-14-9(8(2)3)6-13-11(14)16/h6,8H,4-5,7H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyRLYBCJRSIDHNKT-UHFFFAOYSA-N
XLogP2.20
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide 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-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide?
The IUPAC name of 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide (CID 64863551) is 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C(C)C)c[nH]c1=S.
What is the InChIKey of 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide?
The InChIKey is RLYBCJRSIDHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-5-12-10(15)7-14-9(8(2)3)6-13-11(14)16/h6,8H,4-5,7H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide?
2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide has a molecular weight of 241.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-N-propylacetamide is sourced from PubChem (CID 64863551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).