ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate

C18H24N4O5S — CID 30341383

IUPACethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)n1
InChIInChI=1S/C18H24N4O5S/c1-2-27-14(24)10-12-11-28-16(19-12)20-13(23)6-5-9-22-15(25)18(21-17(22)26)7-3-4-8-18/h11H,2-10H2,1H3,(H,21,26)(H,19,20,23)
InChIKeyNUNUZNDOLIGVGU-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.83
Rot. Bonds8

About ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 30341383) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID30341383
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Nameethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)n1
InChIInChI=1S/C18H24N4O5S/c1-2-27-14(24)10-12-11-28-16(19-12)20-13(23)6-5-9-22-15(25)18(21-17(22)26)7-3-4-8-18/h11H,2-10H2,1H3,(H,21,26)(H,19,20,23)
InChIKeyNUNUZNDOLIGVGU-UHFFFAOYSA-N
XLogP1.83
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-[(1-methylcyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 78909599
ethyl 2-[2-(pent-4-enoylamino)-1,3-thiazol-4-yl]acetate
CID 51106392
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 8534304
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 31517149
ethyl 2-[2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 84571978
ethyl 2-[2-[5-(2,5-dimethylphenoxy)pentanoylamino]-1,3-thiazol-4-yl]acetate
CID 60584890
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17400254
ethyl 2-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]-1,3-thiazol-4-yl]acetate
CID 55595868

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate (CID 30341383) is ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)n1.
What is the InChIKey of ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is NUNUZNDOLIGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-2-27-14(24)10-12-11-28-16(19-12)20-13(23)6-5-9-22-15(25)18(21-17(22)26)7-3-4-8-18/h11H,2-10H2,1H3,(H,21,26)(H,19,20,23).
What are the key properties of ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 408.48 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 30341383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).