2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide

C21H24N4O3S — CID 86979365

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc(-c3ccccc3)s1)C2=O
InChIInChI=1S/C21H24N4O3S/c1-2-14-8-10-21(11-9-14)18(27)25(20(28)24-21)13-17(26)23-19-22-12-16(29-19)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,24,28)(H,22,23,26)
InChIKeyOKNOKZGEZCFNAX-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.64
Rot. Bonds5

About 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 86979365) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID86979365
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc(-c3ccccc3)s1)C2=O
InChIInChI=1S/C21H24N4O3S/c1-2-14-8-10-21(11-9-14)18(27)25(20(28)24-21)13-17(26)23-19-22-12-16(29-19)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,24,28)(H,22,23,26)
InChIKeyOKNOKZGEZCFNAX-UHFFFAOYSA-N
XLogP3.64
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
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-(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-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
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
2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55612985
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
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-(3-cyanophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180941
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 40748938
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

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-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-(5-phenyl-1,3-thiazol-2-yl)acetamide (CID 86979365) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-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-(5-phenyl-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-(5-phenyl-1,3-thiazol-2-yl)acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc(-c3ccccc3)s1)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OKNOKZGEZCFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-2-14-8-10-21(11-9-14)18(27)25(20(28)24-21)13-17(26)23-19-22-12-16(29-19)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,24,28)(H,22,23,26).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-(5-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86979365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).