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

C16H10FNO2S — CID 1483707

IUPAC4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C16H10FNO2S/c17-13-7-5-10(6-8-13)14-9-21-15(18-14)11-1-3-12(4-2-11)16(19)20/h1-9H,(H,19,20)
InChIKeyUEZOAEJMFQGQDR-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.31
Rot. Bonds3

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

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid (PubChem CID 1483707) has the molecular formula C16H10FNO2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
PubChem CID1483707
Molecular FormulaC16H10FNO2S
Molecular Weight299.33 g/mol
Exact Mass299.04
IUPAC Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C16H10FNO2S/c17-13-7-5-10(6-8-13)14-9-21-15(18-14)11-1-3-12(4-2-11)16(19)20/h1-9H,(H,19,20)
InChIKeyUEZOAEJMFQGQDR-UHFFFAOYSA-N
XLogP4.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 104653593
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
4-[2-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]benzoic acid
CID 63839631
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483674
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid
CID 7174481
3-[4-[4-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 118075231
1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286296
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid (CID 1483707) is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid?
The InChIKey is UEZOAEJMFQGQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2S/c17-13-7-5-10(6-8-13)14-9-21-15(18-14)11-1-3-12(4-2-11)16(19)20/h1-9H,(H,19,20).
What are the key properties of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid?
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid is sourced from PubChem (CID 1483707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).