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

C9H15NO2S — CID 79823649

IUPAC4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCOCCC(C)(O)Cc1nccs1
InChIInChI=1S/C9H15NO2S/c1-9(11,3-5-12-2)7-8-10-4-6-13-8/h4,6,11H,3,5,7H2,1-2H3
InChIKeyFLZZUPKWVRGWNB-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.47
Rot. Bonds5

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

4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol (PubChem CID 79823649) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
PubChem CID79823649
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCOCCC(C)(O)Cc1nccs1
InChIInChI=1S/C9H15NO2S/c1-9(11,3-5-12-2)7-8-10-4-6-13-8/h4,6,11H,3,5,7H2,1-2H3
InChIKeyFLZZUPKWVRGWNB-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol (CID 79823649) is 4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol is COCCC(C)(O)Cc1nccs1.
What is the InChIKey of 4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is FLZZUPKWVRGWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(11,3-5-12-2)7-8-10-4-6-13-8/h4,6,11H,3,5,7H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 79823649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).