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

C23H28N4O3S — CID 112762054

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(C)cc3C)cs1)C2=O
InChIInChI=1S/C23H28N4O3S/c1-4-16-7-9-23(10-8-16)20(29)27(22(30)26-23)12-19(28)25-21-24-18(13-31-21)17-6-5-14(2)11-15(17)3/h5-6,11,13,16H,4,7-10,12H2,1-3H3,(H,26,30)(H,24,25,28)
InChIKeyGKJBOGWANBZENU-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.26
Rot. Bonds5

About 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

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 (PubChem CID 112762054) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID112762054
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(C)cc3C)cs1)C2=O
InChIInChI=1S/C23H28N4O3S/c1-4-16-7-9-23(10-8-16)20(29)27(22(30)26-23)12-19(28)25-21-24-18(13-31-21)17-6-5-14(2)11-15(17)3/h5-6,11,13,16H,4,7-10,12H2,1-3H3,(H,26,30)(H,24,25,28)
InChIKeyGKJBOGWANBZENU-UHFFFAOYSA-N
XLogP4.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.26
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-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 112763372
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
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-(4-chloro-2-methylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180827
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 24569217
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8569722
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55673240
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
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-(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-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24568991

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(C)cc3C)cs1)C2=O.
What is the InChIKey of 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?
The InChIKey is GKJBOGWANBZENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-16-7-9-23(10-8-16)20(29)27(22(30)26-23)12-19(28)25-21-24-18(13-31-21)17-6-5-14(2)11-15(17)3/h5-6,11,13,16H,4,7-10,12H2,1-3H3,(H,26,30)(H,24,25,28).
What are the key properties of 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?
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 has a molecular weight of 440.57 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 112762054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).