1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone

C13H20N2OS2 — CID 103606127

IUPAC1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C13H20N2OS2/c1-3-10-6-4-5-7-15(10)12(16)8-11-9(2)14-13(17)18-11/h10H,3-8H2,1-2H3,(H,14,17)
InChIKeySCASQBGHYMGNJP-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.45
Rot. Bonds3

About 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone

1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone (PubChem CID 103606127) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
PubChem CID103606127
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C13H20N2OS2/c1-3-10-6-4-5-7-15(10)12(16)8-11-9(2)14-13(17)18-11/h10H,3-8H2,1-2H3,(H,14,17)
InChIKeySCASQBGHYMGNJP-UHFFFAOYSA-N
XLogP3.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 49048597
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 99642013
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103720333
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-(2-ethylpiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 112760227
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone (CID 103606127) is 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone is CCC1CCCCN1C(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone?
The InChIKey is SCASQBGHYMGNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-3-10-6-4-5-7-15(10)12(16)8-11-9(2)14-13(17)18-11/h10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone has a molecular weight of 284.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 103606127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).