1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol

C14H21NO2S — CID 113373079

IUPAC1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H21NO2S/c16-12(13-15-7-9-18-13)11-4-8-17-14(10-11)5-2-1-3-6-14/h7,9,11-12,16H,1-6,8,10H2
InChIKeyZITBIENJTHRRCU-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.31
Rot. Bonds2

About 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol

1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol (PubChem CID 113373079) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol
PubChem CID113373079
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H21NO2S/c16-12(13-15-7-9-18-13)11-4-8-17-14(10-11)5-2-1-3-6-14/h7,9,11-12,16H,1-6,8,10H2
InChIKeyZITBIENJTHRRCU-UHFFFAOYSA-N
XLogP3.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol 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-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105115940
(3-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115380927
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235596
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235599
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 103443445
1-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97306075
(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105116035
(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912363
(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81319068
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol?
The IUPAC name of 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol (CID 113373079) is 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol?
The canonical SMILES for 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol is OC(c1nccs1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol?
The InChIKey is ZITBIENJTHRRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-12(13-15-7-9-18-13)11-4-8-17-14(10-11)5-2-1-3-6-14/h7,9,11-12,16H,1-6,8,10H2.
What are the key properties of 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol?
1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol has a molecular weight of 267.39 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 113373079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).