2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide

C9H15N3OS — CID 75519951

IUPAC2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1ccnc1SC
InChIInChI=1S/C9H15N3OS/c1-3-4-10-8(13)7-12-6-5-11-9(12)14-2/h5-6H,3-4,7H2,1-2H3,(H,10,13)
InChIKeyGEOXRAZTKTUESY-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.13
Rot. Bonds5

About 2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide

2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide (PubChem CID 75519951) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide
PubChem CID75519951
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1ccnc1SC
InChIInChI=1S/C9H15N3OS/c1-3-4-10-8(13)7-12-6-5-11-9(12)14-2/h5-6H,3-4,7H2,1-2H3,(H,10,13)
InChIKeyGEOXRAZTKTUESY-UHFFFAOYSA-N
XLogP1.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylsulfanylimidazol-1-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-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide (CID 75519951) is 2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1ccnc1SC.
What is the InChIKey of 2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide?
The InChIKey is GEOXRAZTKTUESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-4-10-8(13)7-12-6-5-11-9(12)14-2/h5-6H,3-4,7H2,1-2H3,(H,10,13).
What are the key properties of 2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide?
2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide has a molecular weight of 213.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylimidazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 75519951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).