1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol

C9H15NO2S — CID 105123338

IUPAC1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)OCC(O)Cc1cncs1
InChIInChI=1S/C9H15NO2S/c1-7(2)12-5-8(11)3-9-4-10-6-13-9/h4,6-8,11H,3,5H2,1-2H3
InChIKeyQDVQQZSMVGOSSR-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.47
Rot. Bonds5

About 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol

1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 105123338) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID105123338
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)OCC(O)Cc1cncs1
InChIInChI=1S/C9H15NO2S/c1-7(2)12-5-8(11)3-9-4-10-6-13-9/h4,6-8,11H,3,5H2,1-2H3
InChIKeyQDVQQZSMVGOSSR-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 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol (CID 105123338) is 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol is CC(C)OCC(O)Cc1cncs1.
What is the InChIKey of 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is QDVQQZSMVGOSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7(2)12-5-8(11)3-9-4-10-6-13-9/h4,6-8,11H,3,5H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol?
1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-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 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 105123338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).