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

C8H10FNO2S — CID 84777180

IUPAC3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1cnc(CF)s1)C(=O)O
InChIInChI=1S/C8H10FNO2S/c1-5(8(11)12)2-6-4-10-7(3-9)13-6/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyKFJHKRRMBCCYCV-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.88
Rot. Bonds4

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

3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid (PubChem CID 84777180) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
PubChem CID84777180
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1cnc(CF)s1)C(=O)O
InChIInChI=1S/C8H10FNO2S/c1-5(8(11)12)2-6-4-10-7(3-9)13-6/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyKFJHKRRMBCCYCV-UHFFFAOYSA-N
XLogP1.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid (CID 84777180) is 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid is CC(Cc1cnc(CF)s1)C(=O)O.
What is the InChIKey of 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The InChIKey is KFJHKRRMBCCYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-5(8(11)12)2-6-4-10-7(3-9)13-6/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid?
3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84777180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).