4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid

C22H15FN2O2S — CID 53426478

IUPAC4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid
SMILESCc1cc(-c2nc(-c3ccc(C(=O)O)cc3)sc2-c2ccncc2)ccc1F
InChIInChI=1S/C22H15FN2O2S/c1-13-12-17(6-7-18(13)23)19-20(14-8-10-24-11-9-14)28-21(25-19)15-2-4-16(5-3-15)22(26)27/h2-12H,1H3,(H,26,27)
InChIKeyYUZQONSBTINTKY-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.68
Rot. Bonds4

About 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid

4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid (PubChem CID 53426478) has the molecular formula C22H15FN2O2S and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid
PubChem CID53426478
Molecular FormulaC22H15FN2O2S
Molecular Weight390.44 g/mol
Exact Mass390.08
IUPAC Name4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid
SMILESCc1cc(-c2nc(-c3ccc(C(=O)O)cc3)sc2-c2ccncc2)ccc1F
InChIInChI=1S/C22H15FN2O2S/c1-13-12-17(6-7-18(13)23)19-20(14-8-10-24-11-9-14)28-21(25-19)15-2-4-16(5-3-15)22(26)27/h2-12H,1H3,(H,26,27)
InChIKeyYUZQONSBTINTKY-UHFFFAOYSA-N
XLogP5.68
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 10172878
CID 10172878
CID 73012807
CID 73012807
CID 46229845
CID 46229845
CID 1955694
CID 1955694
CID 46911331
CID 46911331
CID 49863000
CID 49863000
CID 2384336
CID 2384336
CID 16118987
CID 16118987
CID 69643233
CID 69643233
CID 2118147
CID 2118147
CID 44275469
CID 44275469
CID 46229800
CID 46229800

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid?
The IUPAC name of 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid (CID 53426478) is 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid is Cc1cc(-c2nc(-c3ccc(C(=O)O)cc3)sc2-c2ccncc2)ccc1F.
What is the InChIKey of 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid?
The InChIKey is YUZQONSBTINTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O2S/c1-13-12-17(6-7-18(13)23)19-20(14-8-10-24-11-9-14)28-21(25-19)15-2-4-16(5-3-15)22(26)27/h2-12H,1H3,(H,26,27).
What are the key properties of 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid?
4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid has a molecular weight of 390.44 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]benzoic acid is sourced from PubChem (CID 53426478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).