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

C17H12FNO2S — CID 94970690

IUPAC4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(-c2nc(-c3ccccc3F)c(C(=O)O)s2)c1
InChIInChI=1S/C17H12FNO2S/c1-10-5-4-6-11(9-10)16-19-14(15(22-16)17(20)21)12-7-2-3-8-13(12)18/h2-9H,1H3,(H,20,21)
InChIKeySNAMLYGGAOEEDQ-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.62
Rot. Bonds3

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

4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 94970690) has the molecular formula C17H12FNO2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID94970690
Molecular FormulaC17H12FNO2S
Molecular Weight313.35 g/mol
Exact Mass313.06
IUPAC Name4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(-c2nc(-c3ccccc3F)c(C(=O)O)s2)c1
InChIInChI=1S/C17H12FNO2S/c1-10-5-4-6-11(9-10)16-19-14(15(22-16)17(20)21)12-7-2-3-8-13(12)18/h2-9H,1H3,(H,20,21)
InChIKeySNAMLYGGAOEEDQ-UHFFFAOYSA-N
XLogP4.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970687
4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970710
2-[(2-fluorophenyl)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227149
2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82226860
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-oxoacetaldehyde
CID 12748654
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
1-[4-(3-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541280
1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone
CID 175686721
2-[(dimethylamino)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227413

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid (CID 94970690) is 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid is Cc1cccc(-c2nc(-c3ccccc3F)c(C(=O)O)s2)c1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SNAMLYGGAOEEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2S/c1-10-5-4-6-11(9-10)16-19-14(15(22-16)17(20)21)12-7-2-3-8-13(12)18/h2-9H,1H3,(H,20,21).
What are the key properties of 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).