2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide

C18H23N5O3S — CID 55585898

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cn3ccsc3n1)C2=O
InChIInChI=1S/C18H23N5O3S/c1-2-12-3-5-18(6-4-12)15(25)23(16(26)21-18)11-14(24)19-9-13-10-22-7-8-27-17(22)20-13/h7-8,10,12H,2-6,9,11H2,1H3,(H,19,24)(H,21,26)
InChIKeyWZUZIYORQFEYSC-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.90
Rot. Bonds5

About 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide (PubChem CID 55585898) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
PubChem CID55585898
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cn3ccsc3n1)C2=O
InChIInChI=1S/C18H23N5O3S/c1-2-12-3-5-18(6-4-12)15(25)23(16(26)21-18)11-14(24)19-9-13-10-22-7-8-27-17(22)20-13/h7-8,10,12H,2-6,9,11H2,1H3,(H,19,24)(H,21,26)
InChIKeyWZUZIYORQFEYSC-UHFFFAOYSA-N
XLogP1.90
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457
4-[[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzoic acid
CID 119346035
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 40748938
4-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexane-1-carboxylic acid
CID 115335060
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 55460877
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 112763372
N-(2,6-dimethylphenyl)-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 55304263
N-[2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]ethyl]-4-hydroxybenzamide
CID 55869488
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180879
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7180891

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide?
The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide (CID 55585898) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide.
What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide?
The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cn3ccsc3n1)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide?
The InChIKey is WZUZIYORQFEYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-2-12-3-5-18(6-4-12)15(25)23(16(26)21-18)11-14(24)19-9-13-10-22-7-8-27-17(22)20-13/h7-8,10,12H,2-6,9,11H2,1H3,(H,19,24)(H,21,26).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide is sourced from PubChem (CID 55585898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).