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

C15H15NO2S — CID 82488839

IUPAC4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2nc(C3CC3)c(C(=O)O)s2)cc1C
InChIInChI=1S/C15H15NO2S/c1-8-3-4-11(7-9(8)2)14-16-12(10-5-6-10)13(19-14)15(17)18/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)
InChIKeyZZWIMZGEDRGEQT-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.00
Rot. Bonds3

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

4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82488839) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82488839
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2nc(C3CC3)c(C(=O)O)s2)cc1C
InChIInChI=1S/C15H15NO2S/c1-8-3-4-11(7-9(8)2)14-16-12(10-5-6-10)13(19-14)15(17)18/h3-4,7,10H,5-6H2,1-2H3,(H,17,18)
InChIKeyZZWIMZGEDRGEQT-UHFFFAOYSA-N
XLogP4.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114360155
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920329
4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid
CID 114360208
4-cyclopropyl-2-(2,5-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114076223
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360827
4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide
CID 82437362
4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 63916041

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid (CID 82488839) is 4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid is Cc1ccc(-c2nc(C3CC3)c(C(=O)O)s2)cc1C.
What is the InChIKey of 4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZZWIMZGEDRGEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-8-3-4-11(7-9(8)2)14-16-12(10-5-6-10)13(19-14)15(17)18/h3-4,7,10H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82488839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).