1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C14H20N4O3S — CID 131684521

IUPAC1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCN(C(=O)c1csnn1)CC2
InChIInChI=1S/C14H20N4O3S/c1-21-9-8-18-12(19)2-3-14(18)4-6-17(7-5-14)13(20)11-10-22-16-15-11/h10H,2-9H2,1H3
InChIKeyFMCNWFNQKVGERF-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.78
Rot. Bonds4

About 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131684521) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131684521
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCN(C(=O)c1csnn1)CC2
InChIInChI=1S/C14H20N4O3S/c1-21-9-8-18-12(19)2-3-14(18)4-6-17(7-5-14)13(20)11-10-22-16-15-11/h10H,2-9H2,1H3
InChIKeyFMCNWFNQKVGERF-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 118738797
1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398682
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
1-(2-methoxyethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493743
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131661831
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484841
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 131684521) is 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)CCC12CCN(C(=O)c1csnn1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FMCNWFNQKVGERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-21-9-8-18-12(19)2-3-14(18)4-6-17(7-5-14)13(20)11-10-22-16-15-11/h10H,2-9H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 324.41 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131684521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).