8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

C15H21N3O2S2 — CID 50972956

IUPAC8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCSc1nc(CC(=O)N2CCC3(CC2)CNC(=O)C3)cs1
InChIInChI=1S/C15H21N3O2S2/c1-2-21-14-17-11(9-22-14)7-13(20)18-5-3-15(4-6-18)8-12(19)16-10-15/h9H,2-8,10H2,1H3,(H,16,19)
InChIKeyZFUYBGDJSIWGPL-UHFFFAOYSA-N
MW339.49 g/mol
LogP1.93
Rot. Bonds4

About 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50972956) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50972956
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCSc1nc(CC(=O)N2CCC3(CC2)CNC(=O)C3)cs1
InChIInChI=1S/C15H21N3O2S2/c1-2-21-14-17-11(9-22-14)7-13(20)18-5-3-15(4-6-18)8-12(19)16-10-15/h9H,2-8,10H2,1H3,(H,16,19)
InChIKeyZFUYBGDJSIWGPL-UHFFFAOYSA-N
XLogP1.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 46986100
10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one
CID 146625811
(3S,4R)-1-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70705511
8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 77109646
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]ethanone
CID 16900637
N-[(5-bromo-4-methylthiophen-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 175952183
12-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-23-hydroxy-5-methoxy-8,12,17-triazatricyclo[18.3.1.12,6]pentacosa-1(23),2(25),3,5,20(24),21-hexaene-7,16-dione
CID 172673580
N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 16899394
8-(2-pyrazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70720442
8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
CID 107989904
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896666
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50972956) is 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is CCSc1nc(CC(=O)N2CCC3(CC2)CNC(=O)C3)cs1.
What is the InChIKey of 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZFUYBGDJSIWGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-2-21-14-17-11(9-22-14)7-13(20)18-5-3-15(4-6-18)8-12(19)16-10-15/h9H,2-8,10H2,1H3,(H,16,19).
What are the key properties of 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 339.49 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50972956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).