9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C13H20N4O2S — CID 56897812

IUPAC9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)c1nnsc1CN1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C13H20N4O2S/c1-9(2)11-10(20-16-15-11)6-17-5-3-4-13(8-17)7-14-12(18)19-13/h9H,3-8H2,1-2H3,(H,14,18)
InChIKeyGJAJOIGRPJBFNF-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.74
Rot. Bonds3

About 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56897812) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56897812
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)c1nnsc1CN1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C13H20N4O2S/c1-9(2)11-10(20-16-15-11)6-17-5-3-4-13(8-17)7-14-12(18)19-13/h9H,3-8H2,1-2H3,(H,14,18)
InChIKeyGJAJOIGRPJBFNF-UHFFFAOYSA-N
XLogP1.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95708901
(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile
CID 124854171
2-[(5S)-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95715417
9-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 72837805
7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 138702179
(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95870692
(3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 72921116
9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56912689
9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 155508952
(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724392
(5R)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724391
9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906703

Frequently Asked Questions

What is the IUPAC name of 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56897812) is 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CC(C)c1nnsc1CN1CCCC2(CNC(=O)O2)C1.
What is the InChIKey of 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is GJAJOIGRPJBFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9(2)11-10(20-16-15-11)6-17-5-3-4-13(8-17)7-14-12(18)19-13/h9H,3-8H2,1-2H3,(H,14,18).
What are the key properties of 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 296.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56897812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).