2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid

C7H7F2NO2S — CID 84779362

IUPAC2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(C(F)F)s1
InChIInChI=1S/C7H7F2NO2S/c1-3(7(11)12)4-2-10-6(13-4)5(8)9/h2-3,5H,1H3,(H,11,12)
InChIKeyJKQCLTGJGJGWIV-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.27
Rot. Bonds3

About 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid

2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 84779362) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID84779362
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1cnc(C(F)F)s1
InChIInChI=1S/C7H7F2NO2S/c1-3(7(11)12)4-2-10-6(13-4)5(8)9/h2-3,5H,1H3,(H,11,12)
InChIKeyJKQCLTGJGJGWIV-UHFFFAOYSA-N
XLogP2.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid 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-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid (CID 84779362) is 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid is CC(C(=O)O)c1cnc(C(F)F)s1.
What is the InChIKey of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is JKQCLTGJGJGWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c1-3(7(11)12)4-2-10-6(13-4)5(8)9/h2-3,5H,1H3,(H,11,12).
What are the key properties of 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid?
2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 207.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 84779362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).