(5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C16H23N3O2S — CID 97127274

IUPAC(5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1Cc1csc(N2CCCC2)n1
InChIInChI=1S/C16H23N3O2S/c20-14-3-4-16(5-8-21-12-16)11-19(14)9-13-10-22-15(17-13)18-6-1-2-7-18/h10H,1-9,11-12H2/t16-/m0/s1
InChIKeyXYDNNSQJHWYTOP-INIZCTEOSA-N
MW321.45 g/mol
LogP2.27
Rot. Bonds3

About (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

(5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97127274) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97127274
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CC[C@]2(CCOC2)CN1Cc1csc(N2CCCC2)n1
InChIInChI=1S/C16H23N3O2S/c20-14-3-4-16(5-8-21-12-16)11-19(14)9-13-10-22-15(17-13)18-6-1-2-7-18/h10H,1-9,11-12H2/t16-/m0/s1
InChIKeyXYDNNSQJHWYTOP-INIZCTEOSA-N
XLogP2.27
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-5-(4-methylpent-3-enyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]piperidin-2-one
CID 72939519
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]piperidin-2-one
CID 97139352
(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96574681
(5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97137251
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70776926
(5S)-9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95711137
9-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72903273
(5R)-9-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127415
9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 86284805
9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72897769
9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72862931
1-[2-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72883867

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97127274) is (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CC[C@]2(CCOC2)CN1Cc1csc(N2CCCC2)n1.
What is the InChIKey of (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is XYDNNSQJHWYTOP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-14-3-4-16(5-8-21-12-16)11-19(14)9-13-10-22-15(17-13)18-6-1-2-7-18/h10H,1-9,11-12H2/t16-/m0/s1.
What are the key properties of (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
(5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 321.45 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97127274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).