3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol

C9H13NO2S — CID 130658254

IUPAC3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
SMILESCOC1CC(O)(c2cc(C)ns2)C1
InChIInChI=1S/C9H13NO2S/c1-6-3-8(13-10-6)9(11)4-7(5-9)12-2/h3,7,11H,4-5H2,1-2H3
InChIKeyKXFYAVTUWRUJNT-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.45
Rot. Bonds2

About 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol

3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol (PubChem CID 130658254) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
PubChem CID130658254
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
SMILESCOC1CC(O)(c2cc(C)ns2)C1
InChIInChI=1S/C9H13NO2S/c1-6-3-8(13-10-6)9(11)4-7(5-9)12-2/h3,7,11H,4-5H2,1-2H3
InChIKeyKXFYAVTUWRUJNT-UHFFFAOYSA-N
XLogP1.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
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(3-t-Butyl-isothiazol-5-yl)methanol
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8-(3-Methyl-isothiazol-5-yl)-1,4-dioxa-spiro[4.5]decan-8-ol
CID 59556170
2-[3-(4-Methylcyclohexyl)-1,2-thiazol-5-yl]propan-2-ol
CID 132129486
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol
CID 126985704
3-Methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 126985729
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
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol
CID 130604796
(1-Methylsulfanylcyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604836

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol (CID 130658254) is 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol is COC1CC(O)(c2cc(C)ns2)C1.
What is the InChIKey of 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol?
The InChIKey is KXFYAVTUWRUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-3-8(13-10-6)9(11)4-7(5-9)12-2/h3,7,11H,4-5H2,1-2H3.
What are the key properties of 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol?
3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol has a molecular weight of 199.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol is sourced from PubChem (CID 130658254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).