N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C14H22N2OS2 — CID 107031075

IUPACN-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC1CCC(NC(=O)Cc2sc(=S)[nH]c2C)C1C
InChIInChI=1S/C14H22N2OS2/c1-4-10-5-6-11(8(10)2)16-13(17)7-12-9(3)15-14(18)19-12/h8,10-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyFZYNQKRZXHIBCS-UHFFFAOYSA-N
MW298.48 g/mol
LogP3.60
Rot. Bonds4

About N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 107031075) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID107031075
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCCC1CCC(NC(=O)Cc2sc(=S)[nH]c2C)C1C
InChIInChI=1S/C14H22N2OS2/c1-4-10-5-6-11(8(10)2)16-13(17)7-12-9(3)15-14(18)19-12/h8,10-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyFZYNQKRZXHIBCS-UHFFFAOYSA-N
XLogP3.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 53.60
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-cyclopentyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47125331
N-cyclopent-3-en-1-yl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103762330
N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103865042
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 102559623
N-(1-methylpiperidin-4-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47293453
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-oxothian-4-yl)acetamide
CID 104580826
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-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 64922495
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-pentan-2-ylacetamide
CID 47128892
3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
CID 116656385
N-[2,2-dimethyl-3-[[2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetyl]amino]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 166202086

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 107031075) is N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is CCC1CCC(NC(=O)Cc2sc(=S)[nH]c2C)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is FZYNQKRZXHIBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-4-10-5-6-11(8(10)2)16-13(17)7-12-9(3)15-14(18)19-12/h8,10-11H,4-7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 298.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 107031075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).