2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide

C11H18N2OS2 — CID 47128892

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C11H18N2OS2/c1-4-5-7(2)12-10(14)6-9-8(3)13-11(15)16-9/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyQKADVYZVKDQUMH-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide (PubChem CID 47128892) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide
PubChem CID47128892
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C11H18N2OS2/c1-4-5-7(2)12-10(14)6-9-8(3)13-11(15)16-9/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyQKADVYZVKDQUMH-UHFFFAOYSA-N
XLogP2.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide 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-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide (CID 47128892) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide?
The InChIKey is QKADVYZVKDQUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-4-5-7(2)12-10(14)6-9-8(3)13-11(15)16-9/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide has a molecular weight of 258.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 47128892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).