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

C12H10FNO2S — CID 82481141

IUPAC3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C12H10FNO2S/c13-9-3-1-8(2-4-9)11-7-10(17-14-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyASBHLBDWBGWIQO-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.97
Rot. Bonds4

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

3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid (PubChem CID 82481141) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid
PubChem CID82481141
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C12H10FNO2S/c13-9-3-1-8(2-4-9)11-7-10(17-14-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyASBHLBDWBGWIQO-UHFFFAOYSA-N
XLogP2.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid (CID 82481141) is 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid is O=C(O)CCc1cc(-c2ccc(F)cc2)ns1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid?
The InChIKey is ASBHLBDWBGWIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-9-3-1-8(2-4-9)11-7-10(17-14-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid?
3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82481141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).