1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one

C9H13NO2S — CID 105118060

IUPAC1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)OCC(=O)Cc1nccs1
InChIInChI=1S/C9H13NO2S/c1-7(2)12-6-8(11)5-9-10-3-4-13-9/h3-4,7H,5-6H2,1-2H3
InChIKeyYMTATYBNCOKFFG-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.68
Rot. Bonds5

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

1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 105118060) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID105118060
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)OCC(=O)Cc1nccs1
InChIInChI=1S/C9H13NO2S/c1-7(2)12-6-8(11)5-9-10-3-4-13-9/h3-4,7H,5-6H2,1-2H3
InChIKeyYMTATYBNCOKFFG-UHFFFAOYSA-N
XLogP1.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one 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-2-yl)propan-2-one?
The IUPAC name of 1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one (CID 105118060) is 1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one is CC(C)OCC(=O)Cc1nccs1.
What is the InChIKey of 1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is YMTATYBNCOKFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(2)12-6-8(11)5-9-10-3-4-13-9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one?
1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 199.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 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-2-yl)propan-2-one is sourced from PubChem (CID 105118060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).