2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid

C7H8FNO2S — CID 130820102

IUPAC2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1csc(CC(F)C(=O)O)n1
InChIInChI=1S/C7H8FNO2S/c1-4-3-12-6(9-4)2-5(8)7(10)11/h3,5H,2H2,1H3,(H,10,11)
InChIKeyYUOAHFQKBFIZGK-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.42
Rot. Bonds3

About 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid

2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 130820102) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID130820102
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1csc(CC(F)C(=O)O)n1
InChIInChI=1S/C7H8FNO2S/c1-4-3-12-6(9-4)2-5(8)7(10)11/h3,5H,2H2,1H3,(H,10,11)
InChIKeyYUOAHFQKBFIZGK-UHFFFAOYSA-N
XLogP1.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid (CID 130820102) is 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid is Cc1csc(CC(F)C(=O)O)n1.
What is the InChIKey of 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is YUOAHFQKBFIZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-4-3-12-6(9-4)2-5(8)7(10)11/h3,5H,2H2,1H3,(H,10,11).
What are the key properties of 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 130820102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).