2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

C17H23N3O3S — CID 171915518

IUPAC2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccns1)N1CCC2(CC1)CC(O)CN(CC1CC1)C2=O
InChIInChI=1S/C17H23N3O3S/c21-13-9-17(16(23)20(11-13)10-12-1-2-12)4-7-19(8-5-17)15(22)14-3-6-18-24-14/h3,6,12-13,21H,1-2,4-5,7-11H2
InChIKeyZPZLANSMWGIDOI-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.37
Rot. Bonds3

About 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 171915518) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID171915518
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccns1)N1CCC2(CC1)CC(O)CN(CC1CC1)C2=O
InChIInChI=1S/C17H23N3O3S/c21-13-9-17(16(23)20(11-13)10-12-1-2-12)4-7-19(8-5-17)15(22)14-3-6-18-24-14/h3,6,12-13,21H,1-2,4-5,7-11H2
InChIKeyZPZLANSMWGIDOI-UHFFFAOYSA-N
XLogP1.37
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethyl)-4-hydroxy-9-[4-(1,2,4-triazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 171910934
2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 171909665
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
8-(3-chlorobenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449792
7-(cyclopropylmethyl)-2-(2-methoxypyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45237711
7-(cyclohexylmethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45220503
(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897572
2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 97472874
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
(5S)-7-(cyclopropylmethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97153213
2-(cyclopropylmethyl)-1'-(4-phenoxybenzoyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 131685415
(5S)-2-(5-chlorofuran-2-carbonyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97133928

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 171915518) is 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is O=C(c1ccns1)N1CCC2(CC1)CC(O)CN(CC1CC1)C2=O.
What is the InChIKey of 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is ZPZLANSMWGIDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-13-9-17(16(23)20(11-13)10-12-1-2-12)4-7-19(8-5-17)15(22)14-3-6-18-24-14/h3,6,12-13,21H,1-2,4-5,7-11H2.
What are the key properties of 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 349.46 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 171915518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).