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

C18H14FNO2S — CID 86302134

IUPAC3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)CC(c1cccc(-c2ccc(F)cc2)c1)c1nccs1
InChIInChI=1S/C18H14FNO2S/c19-15-6-4-12(5-7-15)13-2-1-3-14(10-13)16(11-17(21)22)18-20-8-9-23-18/h1-10,16H,11H2,(H,21,22)
InChIKeyDDQNUQSHVVPORX-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.56
Rot. Bonds5

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

3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 86302134) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID86302134
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Name3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)CC(c1cccc(-c2ccc(F)cc2)c1)c1nccs1
InChIInChI=1S/C18H14FNO2S/c19-15-6-4-12(5-7-15)13-2-1-3-14(10-13)16(11-17(21)22)18-20-8-9-23-18/h1-10,16H,11H2,(H,21,22)
InChIKeyDDQNUQSHVVPORX-UHFFFAOYSA-N
XLogP4.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.56
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)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (CID 86302134) is 3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is O=C(O)CC(c1cccc(-c2ccc(F)cc2)c1)c1nccs1.
What is the InChIKey of 3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is DDQNUQSHVVPORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c19-15-6-4-12(5-7-15)13-2-1-3-14(10-13)16(11-17(21)22)18-20-8-9-23-18/h1-10,16H,11H2,(H,21,22).
What are the key properties of 3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 86302134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).