2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid

C11H8FNO2S — CID 2577541

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H8FNO2S/c12-8-3-1-2-7(4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyUCYWUSDJNCOTDP-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.58
Rot. Bonds3

About 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 2577541) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID2577541
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H8FNO2S/c12-8-3-1-2-7(4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyUCYWUSDJNCOTDP-UHFFFAOYSA-N
XLogP2.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid (CID 2577541) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is UCYWUSDJNCOTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c12-8-3-1-2-7(4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 2577541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).