2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C16H25N5O2S — CID 91831240

IUPAC2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN2CCC3(CCC(=O)N3C)CC2)s1
InChIInChI=1S/C16H25N5O2S/c1-3-4-13-18-19-15(24-13)17-12(22)11-21-9-7-16(8-10-21)6-5-14(23)20(16)2/h3-11H2,1-2H3,(H,17,19,22)
InChIKeyFKPKPYDQZDKXNH-UHFFFAOYSA-N
MW351.48 g/mol
LogP1.52
Rot. Bonds5

About 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 91831240) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID91831240
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN2CCC3(CCC(=O)N3C)CC2)s1
InChIInChI=1S/C16H25N5O2S/c1-3-4-13-18-19-15(24-13)17-12(22)11-21-9-7-16(8-10-21)6-5-14(23)20(16)2/h3-11H2,1-2H3,(H,17,19,22)
InChIKeyFKPKPYDQZDKXNH-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55606473
2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 124854593
2-tert-butylsulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78792540
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100548965
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 51970286
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 51970285
N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide
CID 86987716
1-hydroxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 110907147
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
CID 19164251
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5137463

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 91831240) is 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CN2CCC3(CCC(=O)N3C)CC2)s1.
What is the InChIKey of 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FKPKPYDQZDKXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-3-4-13-18-19-15(24-13)17-12(22)11-21-9-7-16(8-10-21)6-5-14(23)20(16)2/h3-11H2,1-2H3,(H,17,19,22).
What are the key properties of 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 351.48 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 91831240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).