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'}

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103825432
N-[2-(2-hydroxyethyl)pentyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103725485
N-tert-butyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103606026
N-(2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103606129
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]acetamide
CID 94194288
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107854822
N-(3-cyano-1-phenylpropyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 102560474
N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103719302
N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99579758
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 102559623
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47127751
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 113431348

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).