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

C19H22N4O3S2 — CID 112763372

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3cccs3)cs1)C2=O
InChIInChI=1S/C19H22N4O3S2/c1-2-12-5-7-19(8-6-12)16(25)23(18(26)22-19)10-15(24)21-17-20-13(11-28-17)14-4-3-9-27-14/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,22,26)(H,20,21,24)
InChIKeyLQIPRUFYCSLNTH-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.70
Rot. Bonds5

About 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

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 (PubChem CID 112763372) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID112763372
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3cccs3)cs1)C2=O
InChIInChI=1S/C19H22N4O3S2/c1-2-12-5-7-19(8-6-12)16(25)23(18(26)22-19)10-15(24)21-17-20-13(11-28-17)14-4-3-9-27-14/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,22,26)(H,20,21,24)
InChIKeyLQIPRUFYCSLNTH-UHFFFAOYSA-N
XLogP3.70
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.70
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-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 112762054
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2337188
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979365
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51158648
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
CID 92626388
N-(2-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41188908
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119515474
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119515473
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 55335075

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3cccs3)cs1)C2=O.
What is the InChIKey of 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?
The InChIKey is LQIPRUFYCSLNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-2-12-5-7-19(8-6-12)16(25)23(18(26)22-19)10-15(24)21-17-20-13(11-28-17)14-4-3-9-27-14/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,22,26)(H,20,21,24).
What are the key properties of 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?
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 has a molecular weight of 418.54 g/mol, XLogP of 3.70, 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-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 112763372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).