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

C9H15NO2S — CID 130718278

IUPAC2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCOC(C)(C)C(O)c1cc(C)ns1
InChIInChI=1S/C9H15NO2S/c1-6-5-7(13-10-6)8(11)9(2,3)12-4/h5,8,11H,1-4H3
InChIKeyDIDBYVYVEBOXDN-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.91
Rot. Bonds3

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

2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (PubChem CID 130718278) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
PubChem CID130718278
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCOC(C)(C)C(O)c1cc(C)ns1
InChIInChI=1S/C9H15NO2S/c1-6-5-7(13-10-6)8(11)9(2,3)12-4/h5,8,11H,1-4H3
InChIKeyDIDBYVYVEBOXDN-UHFFFAOYSA-N
XLogP1.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003
(3-t-Butyl-isothiazol-5-yl)methanol
CID 57736297
(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
2-Methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002572
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
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (CID 130718278) is 2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is COC(C)(C)C(O)c1cc(C)ns1.
What is the InChIKey of 2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is DIDBYVYVEBOXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-6-5-7(13-10-6)8(11)9(2,3)12-4/h5,8,11H,1-4H3.
What are the key properties of 2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 130718278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).