3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol

C9H15NO2S — CID 116710804

IUPAC3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
SMILESCCC(OC)C(O)Cc1nccs1
InChIInChI=1S/C9H15NO2S/c1-3-8(12-2)7(11)6-9-10-4-5-13-9/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyJEQCTLRISRQAQY-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.47
Rot. Bonds5

About 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol

3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 116710804) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
PubChem CID116710804
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
SMILESCCC(OC)C(O)Cc1nccs1
InChIInChI=1S/C9H15NO2S/c1-3-8(12-2)7(11)6-9-10-4-5-13-9/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyJEQCTLRISRQAQY-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

Analyze 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715056
3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
CID 116711385
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715655
methyl 2-(1,3-thiazol-2-ylmethyl)butanoate
CID 79823968
2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79824429
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 105115330
3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116757294
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819993
2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79823539

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol (CID 116710804) is 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol is CCC(OC)C(O)Cc1nccs1.
What is the InChIKey of 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is JEQCTLRISRQAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-3-8(12-2)7(11)6-9-10-4-5-13-9/h4-5,7-8,11H,3,6H2,1-2H3.
What are the key properties of 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol?
3-methoxy-1-(1,3-thiazol-2-yl)pentan-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 3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 116710804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).