2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C15H19N5O4S — CID 56761808

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C15H19N5O4S/c21-10(16-13-19-18-11(25-13)9-4-3-7-24-9)8-20-12(22)15(17-14(20)23)5-1-2-6-15/h9H,1-8H2,(H,17,23)(H,16,19,21)
InChIKeyGOFOOPDCOYSBKV-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.19
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 56761808) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID56761808
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C15H19N5O4S/c21-10(16-13-19-18-11(25-13)9-4-3-7-24-9)8-20-12(22)15(17-14(20)23)5-1-2-6-15/h9H,1-8H2,(H,17,23)(H,16,19,21)
InChIKeyGOFOOPDCOYSBKV-UHFFFAOYSA-N
XLogP1.19
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.19
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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 47004586
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56761190
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 50959780
1-[2-oxo-2-[[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 95125307
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 124842295
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749945
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide
CID 124844510
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51720272

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 56761808) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GOFOOPDCOYSBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c21-10(16-13-19-18-11(25-13)9-4-3-7-24-9)8-20-12(22)15(17-14(20)23)5-1-2-6-15/h9H,1-8H2,(H,17,23)(H,16,19,21).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 365.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 56761808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).