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

C19H16FNO2S — CID 118533633

IUPAC3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1cnc(C(CC(=O)O)c2cccc(-c3ccccc3F)c2)s1
InChIInChI=1S/C19H16FNO2S/c1-12-11-21-19(24-12)16(10-18(22)23)14-6-4-5-13(9-14)15-7-2-3-8-17(15)20/h2-9,11,16H,10H2,1H3,(H,22,23)
InChIKeyHKCCFRXOQYGYJU-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.86
Rot. Bonds5

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

3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 118533633) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID118533633
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1cnc(C(CC(=O)O)c2cccc(-c3ccccc3F)c2)s1
InChIInChI=1S/C19H16FNO2S/c1-12-11-21-19(24-12)16(10-18(22)23)14-6-4-5-13(9-14)15-7-2-3-8-17(15)20/h2-9,11,16H,10H2,1H3,(H,22,23)
InChIKeyHKCCFRXOQYGYJU-UHFFFAOYSA-N
XLogP4.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

example 166 [WO2014154727]
CID 78426198
3-[3-(3-Methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 86301830
3-[3-(2-Chloro-3-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 86301831
3-[3-(3-Chlorophenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 86301832
3-[3-(2-Fluoro-4-methoxyphenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533491
3-[3-Chloro-5-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533518
3-[3-Chloro-5-(3-chloro-2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533522
3-[3-Chloro-5-(2-cyanophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533523
3-[3-Fluoro-5-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533527
3-[3-Chloro-5-(2,5-difluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533532
3-[3-Chloro-5-(2-fluoro-3-methylphenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533547
3-[3-(2-Acetylphenyl)-5-chlorophenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 118533558

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid (CID 118533633) is 3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid is Cc1cnc(C(CC(=O)O)c2cccc(-c3ccccc3F)c2)s1.
What is the InChIKey of 3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is HKCCFRXOQYGYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-12-11-21-19(24-12)16(10-18(22)23)14-6-4-5-13(9-14)15-7-2-3-8-17(15)20/h2-9,11,16H,10H2,1H3,(H,22,23).
What are the key properties of 3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 341.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 118533633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).