(3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol

C9H15NO2S — CID 145217833

IUPAC(3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol
SMILESCOC(CO)[C@H](C)Cc1nccs1
InChIInChI=1S/C9H15NO2S/c1-7(8(6-11)12-2)5-9-10-3-4-13-9/h3-4,7-8,11H,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyUBJITGYJRCUJLA-GVHYBUMESA-N
MW201.29 g/mol
LogP1.33
Rot. Bonds5

About (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol

(3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol (PubChem CID 145217833) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name(3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol
PubChem CID145217833
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol
SMILESCOC(CO)[C@H](C)Cc1nccs1
InChIInChI=1S/C9H15NO2S/c1-7(8(6-11)12-2)5-9-10-3-4-13-9/h3-4,7-8,11H,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyUBJITGYJRCUJLA-GVHYBUMESA-N
XLogP1.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol (CID 145217833) is (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol is COC(CO)[C@H](C)Cc1nccs1.
What is the InChIKey of (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is UBJITGYJRCUJLA-GVHYBUMESA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7(8(6-11)12-2)5-9-10-3-4-13-9/h3-4,7-8,11H,5-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol?
(3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 145217833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).