2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid

C8H10FNO2S — CID 84777179

IUPAC2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnc(CF)s1
InChIInChI=1S/C8H10FNO2S/c1-8(2,7(11)12)5-4-10-6(3-9)13-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyLWFUTEJXJXRXDR-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.97
Rot. Bonds3

About 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid

2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid (PubChem CID 84777179) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
PubChem CID84777179
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnc(CF)s1
InChIInChI=1S/C8H10FNO2S/c1-8(2,7(11)12)5-4-10-6(3-9)13-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyLWFUTEJXJXRXDR-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid (CID 84777179) is 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1cnc(CF)s1.
What is the InChIKey of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The InChIKey is LWFUTEJXJXRXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-8(2,7(11)12)5-4-10-6(3-9)13-5/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84777179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).