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

C18H15NO2S — CID 94970687

IUPAC4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(-c2nc(-c3ccccc3C)c(C(=O)O)s2)c1
InChIInChI=1S/C18H15NO2S/c1-11-6-5-8-13(10-11)17-19-15(16(22-17)18(20)21)14-9-4-3-7-12(14)2/h3-10H,1-2H3,(H,20,21)
InChIKeyIPHZIRAFYVTFKB-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.79
Rot. Bonds3

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

4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 94970687) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID94970687
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(-c2nc(-c3ccccc3C)c(C(=O)O)s2)c1
InChIInChI=1S/C18H15NO2S/c1-11-6-5-8-13(10-11)17-19-15(16(22-17)18(20)21)14-9-4-3-7-12(14)2/h3-10H,1-2H3,(H,20,21)
InChIKeyIPHZIRAFYVTFKB-UHFFFAOYSA-N
XLogP4.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid (CID 94970687) is 4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid is Cc1cccc(-c2nc(-c3ccccc3C)c(C(=O)O)s2)c1.
What is the InChIKey of 4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IPHZIRAFYVTFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-11-6-5-8-13(10-11)17-19-15(16(22-17)18(20)21)14-9-4-3-7-12(14)2/h3-10H,1-2H3,(H,20,21).
What are the key properties of 4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).