3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide

C17H24N4O3S — CID 55734282

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCc1nc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)sc1C
InChIInChI=1S/C17H24N4O3S/c1-3-12-11(2)25-15(18-12)19-13(22)7-10-21-14(23)17(20-16(21)24)8-5-4-6-9-17/h3-10H2,1-2H3,(H,20,24)(H,18,19,22)
InChIKeyXYAMRBFIOAITEB-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.60
Rot. Bonds5

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

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 55734282) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID55734282
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCc1nc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)sc1C
InChIInChI=1S/C17H24N4O3S/c1-3-12-11(2)25-15(18-12)19-13(22)7-10-21-14(23)17(20-16(21)24)8-5-4-6-9-17/h3-10H2,1-2H3,(H,20,24)(H,18,19,22)
InChIKeyXYAMRBFIOAITEB-UHFFFAOYSA-N
XLogP2.60
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.60
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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17400254
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 18128657
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 43018410
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4858996
N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9467842
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylpropanamide
CID 17468537
ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
CID 30341383
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 24657656
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55396462
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 46653682
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 17480205

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide (CID 55734282) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide is CCc1nc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)sc1C.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XYAMRBFIOAITEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-12-11(2)25-15(18-12)19-13(22)7-10-21-14(23)17(20-16(21)24)8-5-4-6-9-17/h3-10H2,1-2H3,(H,20,24)(H,18,19,22).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 364.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 55734282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).