2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid

C8H10FNO2S — CID 84777166

IUPAC2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
SMILESCc1nc(C(C)C(=O)O)sc1CF
InChIInChI=1S/C8H10FNO2S/c1-4(8(11)12)7-10-5(2)6(3-9)13-7/h4H,3H2,1-2H3,(H,11,12)
InChIKeyMGJFEQKGGBLVKW-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.11
Rot. Bonds3

About 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid

2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid (PubChem CID 84777166) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
PubChem CID84777166
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
SMILESCc1nc(C(C)C(=O)O)sc1CF
InChIInChI=1S/C8H10FNO2S/c1-4(8(11)12)7-10-5(2)6(3-9)13-7/h4H,3H2,1-2H3,(H,11,12)
InChIKeyMGJFEQKGGBLVKW-UHFFFAOYSA-N
XLogP2.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-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-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid (CID 84777166) is 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid is Cc1nc(C(C)C(=O)O)sc1CF.
What is the InChIKey of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is MGJFEQKGGBLVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-4(8(11)12)7-10-5(2)6(3-9)13-7/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 84777166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).