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

C17H12FNO2S — CID 94970710

IUPAC4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1-c1nc(-c2ccccc2F)c(C(=O)O)s1
InChIInChI=1S/C17H12FNO2S/c1-10-6-2-3-7-11(10)16-19-14(15(22-16)17(20)21)12-8-4-5-9-13(12)18/h2-9H,1H3,(H,20,21)
InChIKeyHLAQIHYLKJRQPL-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.62
Rot. Bonds3

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

4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 94970710) has the molecular formula C17H12FNO2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID94970710
Molecular FormulaC17H12FNO2S
Molecular Weight313.35 g/mol
Exact Mass313.06
IUPAC Name4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1-c1nc(-c2ccccc2F)c(C(=O)O)s1
InChIInChI=1S/C17H12FNO2S/c1-10-6-2-3-7-11(10)16-19-14(15(22-16)17(20)21)12-8-4-5-9-13(12)18/h2-9H,1H3,(H,20,21)
InChIKeyHLAQIHYLKJRQPL-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-fluorophenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970690
2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82226860
4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970687
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
4-(2-methylphenyl)thiadiazole-5-carboxylic acid
CID 65207542
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53016699
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62308714
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 82428234
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82425590
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid (CID 94970710) is 4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid is Cc1ccccc1-c1nc(-c2ccccc2F)c(C(=O)O)s1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HLAQIHYLKJRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2S/c1-10-6-2-3-7-11(10)16-19-14(15(22-16)17(20)21)12-8-4-5-9-13(12)18/h2-9H,1H3,(H,20,21).
What are the key properties of 4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid?
4-(2-fluorophenyl)-2-(2-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-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).