2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid

C6H6FNO2S — CID 79823854

IUPAC2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)C(F)Cc1nccs1
InChIInChI=1S/C6H6FNO2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3H2,(H,9,10)
InChIKeyANVNFRYCKBGVAQ-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.11
Rot. Bonds3

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

2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 79823854) has the molecular formula C6H6FNO2S and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID79823854
Molecular FormulaC6H6FNO2S
Molecular Weight175.18 g/mol
Exact Mass175.01
IUPAC Name2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)C(F)Cc1nccs1
InChIInChI=1S/C6H6FNO2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3H2,(H,9,10)
InChIKeyANVNFRYCKBGVAQ-UHFFFAOYSA-N
XLogP1.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-Thiazol-2-yl)propanoic acid
CID 2760609
2-Thiazoleacetic acid
CID 21220663
beta-(2-Thiazolyl)-DL-alanine
CID 4684973
Cyclopropanecarboxylic acid, 1-(2-thiazolyl)-
CID 67256098
Sodium 2-(1,3-thiazol-2-yl)acetate
CID 73994900
3-Amino-3-(1,3-thiazol-2-yl)propanoic acid
CID 70397200
(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoic acid
CID 7017952
2-(1,3-Thiazol-2-yl)propanoic acid
CID 19883554
2-Methyl-2-(1,3-thiazol-2-yl)propanoic acid
CID 21099722
Fluoro 2,2-difluoro-3-oxo-3-(1,3-thiazol-2-yl)propanoate
CID 174918907
4,4,4-Trifluoro-3-(1,3-thiazol-2-ylsulfanyl)butanoic acid
CID 63099832
2,2-Difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
CID 64990931

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid (CID 79823854) is 2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid is O=C(O)C(F)Cc1nccs1.
What is the InChIKey of 2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is ANVNFRYCKBGVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3H2,(H,9,10).
What are the key properties of 2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid?
2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 175.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 79823854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).