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

C18H14FNO2S — CID 162757092

IUPAC4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid
SMILESCc1nc(C)c(-c2cccc(-c3ccc(C(=O)O)cc3)c2F)s1
InChIInChI=1S/C18H14FNO2S/c1-10-17(23-11(2)20-10)15-5-3-4-14(16(15)19)12-6-8-13(9-7-12)18(21)22/h3-9H,1-2H3,(H,21,22)
InChIKeyMPSRRXYOQCVEDM-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.93
Rot. Bonds3

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

4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid (PubChem CID 162757092) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid
PubChem CID162757092
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Name4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid
SMILESCc1nc(C)c(-c2cccc(-c3ccc(C(=O)O)cc3)c2F)s1
InChIInChI=1S/C18H14FNO2S/c1-10-17(23-11(2)20-10)15-5-3-4-14(16(15)19)12-6-8-13(9-7-12)18(21)22/h3-9H,1-2H3,(H,21,22)
InChIKeyMPSRRXYOQCVEDM-UHFFFAOYSA-N
XLogP4.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]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

4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]benzoic acid
CID 162757301
4-(4-methylpyrimidin-5-yl)benzoic acid
CID 105467481
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
4-naphthalen-1-ylbenzoic acid
CID 2760151
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 2384167
4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid
CID 59337820
4-(6-methylnaphthalen-1-yl)benzoic acid
CID 139920032
ethane;4-[4-(2-fluorophenyl)pyrimidin-2-yl]benzoic acid
CID 143218295
3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]propanoic acid
CID 122569718
4-(6-amino-2-methyl-3-pyridinyl)benzoic acid;hydrochloride
CID 70295713
4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid
CID 162757153
5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 53271192

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid?
The IUPAC name of 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid (CID 162757092) is 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid.
What is the SMILES notation for 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid?
The canonical SMILES for 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid is Cc1nc(C)c(-c2cccc(-c3ccc(C(=O)O)cc3)c2F)s1.
What is the InChIKey of 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid?
The InChIKey is MPSRRXYOQCVEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c1-10-17(23-11(2)20-10)15-5-3-4-14(16(15)19)12-6-8-13(9-7-12)18(21)22/h3-9H,1-2H3,(H,21,22).
What are the key properties of 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid?
4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-fluorophenyl]benzoic acid is sourced from PubChem (CID 162757092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).