4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid

C16H9ClFNO2S — CID 131954936

IUPAC4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClFNO2S/c17-11-5-1-9(2-6-11)13-14(16(20)21)22-15(19-13)10-3-7-12(18)8-4-10/h1-8H,(H,20,21)
InChIKeyJJWLBTYVVAAFLI-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.97
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid

4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 131954936) has the molecular formula C16H9ClFNO2S and a molecular weight of 333.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID131954936
Molecular FormulaC16H9ClFNO2S
Molecular Weight333.77 g/mol
Exact Mass333.00
IUPAC Name4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClFNO2S/c17-11-5-1-9(2-6-11)13-14(16(20)21)22-15(19-13)10-3-7-12(18)8-4-10/h1-8H,(H,20,21)
InChIKeyJJWLBTYVVAAFLI-UHFFFAOYSA-N
XLogP4.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 59384906
4-(4-chlorophenyl)-1,3-thiazole-2,5-dicarboxylic acid
CID 118611364
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927
2,4-bis(3,4,5-trichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 134617786
4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58387723
2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 71148060
2-[(dimethylamino)methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82227419
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
4-(3-amino-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227042
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid (CID 131954936) is 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is JJWLBTYVVAAFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO2S/c17-11-5-1-9(2-6-11)13-14(16(20)21)22-15(19-13)10-3-7-12(18)8-4-10/h1-8H,(H,20,21).
What are the key properties of 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid?
4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 333.77 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 131954936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).