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

C10H17NO2S — CID 126985729

IUPAC3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCOC(C)(C)C(C)(O)c1cc(C)ns1
InChIInChI=1S/C10H17NO2S/c1-7-6-8(14-11-7)10(4,12)9(2,3)13-5/h6,12H,1-5H3
InChIKeyHGBGXPNZXZHDRT-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.08
Rot. Bonds3

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

3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (PubChem CID 126985729) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
PubChem CID126985729
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCOC(C)(C)C(C)(O)c1cc(C)ns1
InChIInChI=1S/C10H17NO2S/c1-7-6-8(14-11-7)10(4,12)9(2,3)13-5/h6,12H,1-5H3
InChIKeyHGBGXPNZXZHDRT-UHFFFAOYSA-N
XLogP2.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
3-Methoxy-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130604847
Cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604889
6-(3-Methyl-1,2-thiazol-5-yl)-1,4-dioxepan-6-ol
CID 130604895
1-(3-Methyl-1,2-thiazol-5-yl)butane-1,2-diol
CID 130621249
1-Amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130639475
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130646530

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (CID 126985729) is 3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is COC(C)(C)C(C)(O)c1cc(C)ns1.
What is the InChIKey of 3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is HGBGXPNZXZHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-7-6-8(14-11-7)10(4,12)9(2,3)13-5/h6,12H,1-5H3.
What are the key properties of 3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 126985729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).