3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C14H19N3O3S — CID 56886086

IUPAC3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCCCc1nc(C(=O)N2CCC3(CN(C)C(=O)O3)C2)cs1
InChIInChI=1S/C14H19N3O3S/c1-3-4-11-15-10(7-21-11)12(18)17-6-5-14(9-17)8-16(2)13(19)20-14/h7H,3-6,8-9H2,1-2H3
InChIKeyZQLYPRJXCCRNEI-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.76
Rot. Bonds3

About 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56886086) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56886086
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCCCc1nc(C(=O)N2CCC3(CN(C)C(=O)O3)C2)cs1
InChIInChI=1S/C14H19N3O3S/c1-3-4-11-15-10(7-21-11)12(18)17-6-5-14(9-17)8-16(2)13(19)20-14/h7H,3-6,8-9H2,1-2H3
InChIKeyZQLYPRJXCCRNEI-UHFFFAOYSA-N
XLogP1.76
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95713149
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 77085528
[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97151644
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 66389558
(4aS,8aS)-1-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135104882
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72862783
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66390323
(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 58168456
(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95726109
7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911026
3-methyl-7-(5-methyl-4-phenylthiophene-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90647729
1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164697025

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56886086) is 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CCCc1nc(C(=O)N2CCC3(CN(C)C(=O)O3)C2)cs1.
What is the InChIKey of 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is ZQLYPRJXCCRNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-4-11-15-10(7-21-11)12(18)17-6-5-14(9-17)8-16(2)13(19)20-14/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 309.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56886086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).