2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol

C13H19NO3S — CID 105116344

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H19NO3S/c1-9-12(18-8-14-9)11(15)10-2-4-17-13(6-10)3-5-16-7-13/h8,10-11,15H,2-7H2,1H3
InChIKeyODGWLRGAFDGQLQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.07
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol

2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol (PubChem CID 105116344) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
PubChem CID105116344
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
SMILESCc1ncsc1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H19NO3S/c1-9-12(18-8-14-9)11(15)10-2-4-17-13(6-10)3-5-16-7-13/h8,10-11,15H,2-7H2,1H3
InChIKeyODGWLRGAFDGQLQ-UHFFFAOYSA-N
XLogP2.07
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105113831
(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105115940
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889
(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823308
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105170316
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
(3-methylcyclopentyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650929
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol (CID 105116344) is 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol is Cc1ncsc1C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol?
The InChIKey is ODGWLRGAFDGQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-12(18-8-14-9)11(15)10-2-4-17-13(6-10)3-5-16-7-13/h8,10-11,15H,2-7H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol has a molecular weight of 269.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 105116344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).