8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C12H17NO3S — CID 59556170

IUPAC8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCc1cc(C2(O)CCC3(CC2)OCCO3)sn1
InChIInChI=1S/C12H17NO3S/c1-9-8-10(17-13-9)11(14)2-4-12(5-3-11)15-6-7-16-12/h8,14H,2-7H2,1H3
InChIKeyXPIAZELHBIXTGD-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.96
Rot. Bonds1

About 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 59556170) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID59556170
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCc1cc(C2(O)CCC3(CC2)OCCO3)sn1
InChIInChI=1S/C12H17NO3S/c1-9-8-10(17-13-9)11(14)2-4-12(5-3-11)15-6-7-16-12/h8,14H,2-7H2,1H3
InChIKeyXPIAZELHBIXTGD-UHFFFAOYSA-N
XLogP1.96
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-Isothiazol-5-yl-1,4-dioxa-spiro[4.5]decan-8-ol
CID 59361591
5-(1,4-Dioxaspiro[4.5]decan-8-yl)-3-methyl-1,2-thiazole
CID 91526496
3-(3-Methyl-1,2-thiazol-5-yl)oxolan-3-ol
CID 126985746
1-(3-Methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 127002581
3-Ethoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
CID 127004477
3-Methoxy-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130604847
3-Methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130658254
4,4-Dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol
CID 131048907
(3-Methyl-1,2-thiazol-5-yl)-(oxan-4-yl)methanol
CID 131084404
Cyclohexyl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 131110771
(2-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 131153937
8-(1,2-Thiazol-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 131155697

Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 59556170) is 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol is Cc1cc(C2(O)CCC3(CC2)OCCO3)sn1.
What is the InChIKey of 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is XPIAZELHBIXTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-8-10(17-13-9)11(14)2-4-12(5-3-11)15-6-7-16-12/h8,14H,2-7H2,1H3.
What are the key properties of 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 255.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-1,2-thiazol-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 59556170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).