2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol

C8H11NO2S — CID 18996140

IUPAC2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol
SMILESCC1OCCC1(O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-6-8(10,2-4-11-6)7-9-3-5-12-7/h3,5-6,10H,2,4H2,1H3
InChIKeyZTSHXEHHHREGLE-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.14
Rot. Bonds1

About 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol

2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol (PubChem CID 18996140) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol
PubChem CID18996140
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol
SMILESCC1OCCC1(O)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-6-8(10,2-4-11-6)7-9-3-5-12-7/h3,5-6,10H,2,4H2,1H3
InChIKeyZTSHXEHHHREGLE-UHFFFAOYSA-N
XLogP1.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol?
The IUPAC name of 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol (CID 18996140) is 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol?
The canonical SMILES for 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol is CC1OCCC1(O)c1nccs1.
What is the InChIKey of 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol?
The InChIKey is ZTSHXEHHHREGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-8(10,2-4-11-6)7-9-3-5-12-7/h3,5-6,10H,2,4H2,1H3.
What are the key properties of 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol?
2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol has a molecular weight of 185.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol is sourced from PubChem (CID 18996140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).