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

C9H15NO2S — CID 112642616

IUPAC3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESCOC(C)(C)C(O)Cc1cncs1
InChIInChI=1S/C9H15NO2S/c1-9(2,12-3)8(11)4-7-5-10-6-13-7/h5-6,8,11H,4H2,1-3H3
InChIKeySGZGCMBCUZIQOI-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.47
Rot. Bonds4

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

3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol (PubChem CID 112642616) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
PubChem CID112642616
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESCOC(C)(C)C(O)Cc1cncs1
InChIInChI=1S/C9H15NO2S/c1-9(2,12-3)8(11)4-7-5-10-6-13-7/h5-6,8,11H,4H2,1-3H3
InChIKeySGZGCMBCUZIQOI-UHFFFAOYSA-N
XLogP1.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
CID 112642589
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
CID 124595713
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol
CID 105123338
1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198455
1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642005
1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 115979152
3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 115866557
5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
CID 59305650
3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 79820192

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol (CID 112642616) is 3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol is COC(C)(C)C(O)Cc1cncs1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is SGZGCMBCUZIQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(2,12-3)8(11)4-7-5-10-6-13-7/h5-6,8,11H,4H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol?
3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 112642616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).