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

C8H10FNO2S — CID 84777167

IUPAC3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
SMILESCc1nc(CCC(=O)O)sc1CF
InChIInChI=1S/C8H10FNO2S/c1-5-6(4-9)13-7(10-5)2-3-8(11)12/h2-4H2,1H3,(H,11,12)
InChIKeySWVJORUMVFYASB-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.94
Rot. Bonds4

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

3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid (PubChem CID 84777167) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
PubChem CID84777167
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid
SMILESCc1nc(CCC(=O)O)sc1CF
InChIInChI=1S/C8H10FNO2S/c1-5-6(4-9)13-7(10-5)2-3-8(11)12/h2-4H2,1H3,(H,11,12)
InChIKeySWVJORUMVFYASB-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid (CID 84777167) is 3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid is Cc1nc(CCC(=O)O)sc1CF.
What is the InChIKey of 3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is SWVJORUMVFYASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-5-6(4-9)13-7(10-5)2-3-8(11)12/h2-4H2,1H3,(H,11,12).
What are the key properties of 3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid?
3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(fluoromethyl)-4-methyl-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 84777167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).