2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid

C6H5F2NO2S — CID 165462219

IUPAC2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid
SMILESO=C(O)C(F)(F)Cc1cncs1
InChIInChI=1S/C6H5F2NO2S/c7-6(8,5(10)11)1-4-2-9-3-12-4/h2-3H,1H2,(H,10,11)
InChIKeyIBMWKLKMOLSYTF-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.41
Rot. Bonds3

About 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid

2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid (PubChem CID 165462219) has the molecular formula C6H5F2NO2S and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid
PubChem CID165462219
Molecular FormulaC6H5F2NO2S
Molecular Weight193.17 g/mol
Exact Mass193.00
IUPAC Name2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid
SMILESO=C(O)C(F)(F)Cc1cncs1
InChIInChI=1S/C6H5F2NO2S/c7-6(8,5(10)11)1-4-2-9-3-12-4/h2-3H,1H2,(H,10,11)
InChIKeyIBMWKLKMOLSYTF-UHFFFAOYSA-N
XLogP1.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(1,3-thiazol-5-ylmethyl)hexanoic acid
CID 112641498
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid
CID 114900382
2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112645708
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
CID 124595713
2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
CID 112645394
4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-5-yl)pentan-1-amine
CID 103392640
3-oxo-2-phenyl-2-(1,3-thiazol-5-ylmethyl)butanenitrile
CID 112645130
(2S)-2-amino-3-(1,3-thiazol-5-ylmethylsulfanyl)propanoic acid
CID 107773520
2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112641801
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid (CID 165462219) is 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid is O=C(O)C(F)(F)Cc1cncs1.
What is the InChIKey of 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid?
The InChIKey is IBMWKLKMOLSYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2S/c7-6(8,5(10)11)1-4-2-9-3-12-4/h2-3H,1H2,(H,10,11).
What are the key properties of 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid?
2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid has a molecular weight of 193.17 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 165462219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).