N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C16H22N4O4S — CID 41491387

IUPACN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H22N4O4S/c1-11-10-25-15(24)20(11)9-12(21)17-7-4-8-19-13(22)16(18-14(19)23)5-2-3-6-16/h10H,2-9H2,1H3,(H,17,21)(H,18,23)
InChIKeyJUWXBTGTQUMAKR-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.59
Rot. Bonds6

About N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 41491387) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID41491387
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H22N4O4S/c1-11-10-25-15(24)20(11)9-12(21)17-7-4-8-19-13(22)16(18-14(19)23)5-2-3-6-16/h10H,2-9H2,1H3,(H,17,21)(H,18,23)
InChIKeyJUWXBTGTQUMAKR-UHFFFAOYSA-N
XLogP0.59
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119405447
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340418
N-[(1-hydroxycyclohexyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114101
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 115362655
2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429011
tert-butyl N-[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]ethyl]carbamate
CID 86853820
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 17471212
1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
CID 47012814
(4S)-3-acetyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 52501101

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 41491387) is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is JUWXBTGTQUMAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-11-10-25-15(24)20(11)9-12(21)17-7-4-8-19-13(22)16(18-14(19)23)5-2-3-6-16/h10H,2-9H2,1H3,(H,17,21)(H,18,23).
What are the key properties of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 366.44 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 41491387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).