(4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one

C13H17NO2S — CID 746575

IUPAC(4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
SMILESCc1nc([C@H]2CC(=O)OC23CCCCC3)cs1
InChIInChI=1S/C13H17NO2S/c1-9-14-11(8-17-9)10-7-12(15)16-13(10)5-3-2-4-6-13/h8,10H,2-7H2,1H3/t10-/m1/s1
InChIKeyIXPUKCIEWPWDEO-SNVBAGLBSA-N
MW251.35 g/mol
LogP3.18
Rot. Bonds1

About (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one

(4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one (PubChem CID 746575) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
PubChem CID746575
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
SMILESCc1nc([C@H]2CC(=O)OC23CCCCC3)cs1
InChIInChI=1S/C13H17NO2S/c1-9-14-11(8-17-9)10-7-12(15)16-13(10)5-3-2-4-6-13/h8,10H,2-7H2,1H3/t10-/m1/s1
InChIKeyIXPUKCIEWPWDEO-SNVBAGLBSA-N
XLogP3.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-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

4-(2-Methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
CID 2836320
4-(2-Amino-thiazol-4-yl)-1-oxa-spiro[4.5]decan-2-one
CID 581119
5-Fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylic acid
CID 118008981
(1R,2R,5S)-methyl 5-fluoro-2-(2-methylthiazol-4-yl)cyclohexanecarboxylate
CID 118009452
Methyl 5-fluoro-2-(2-methyl-1,3-thiazol-4-yl)cyclohexane-1-carboxylate
CID 118009453
(1R,2R)-Methyl 2-(2-(3,3-difluorocyclobutyl)thiazol-4-yl)cyclohexanecarboxylate
CID 118009496
Methyl 2-[2-(3,3-difluorocyclobutyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylate
CID 118009497
(4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
CID 800171
4-[2-(3-Oxo-2-oxaspiro[4.5]dec-4-yl)-1,3-thiazol-4-yl]-1-oxaspiro[4.5]decan-2-one
CID 24153878
7,7-Dimethyl-4-(2-methyl-4-thiazolyl)-1,8-dioxaspiro[4.5]decan-2-one
CID 580746
6-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxane-2,4-dione
CID 53899248
6-Propan-2-yl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]oxane-2,4-dione
CID 54482076

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one (CID 746575) is (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one is Cc1nc([C@H]2CC(=O)OC23CCCCC3)cs1.
What is the InChIKey of (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
The InChIKey is IXPUKCIEWPWDEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9-14-11(8-17-9)10-7-12(15)16-13(10)5-3-2-4-6-13/h8,10H,2-7H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one?
(4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one has a molecular weight of 251.35 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 746575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).