5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid

C15H16N2O3S — CID 106696709

IUPAC5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(Nc2c(C)cc(C)cc2C)nc1C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-7-5-8(2)11(9(3)6-7)16-15-17-12(14(19)20)13(21-15)10(4)18/h5-6H,1-4H3,(H,16,17)(H,19,20)
InChIKeyORTRMZUFZOIHMB-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.71
Rot. Bonds4

About 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696709) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID106696709
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(Nc2c(C)cc(C)cc2C)nc1C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-7-5-8(2)11(9(3)6-7)16-15-17-12(14(19)20)13(21-15)10(4)18/h5-6H,1-4H3,(H,16,17)(H,19,20)
InChIKeyORTRMZUFZOIHMB-UHFFFAOYSA-N
XLogP3.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 9154510
5-acetyl-2-(4-bromo-3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 107580542
4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 82065165
5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697035
5-acetyl-2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696876
5-acetyl-2-(4-bromo-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696739
5-acetyl-2-(3,4,5-trifluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 106697529
5-acetyl-2-(5-bromo-4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107590464
5-acetyl-2-(3,5-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107580557
5-acetyl-2-(2-bromo-6-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107604321
5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid
CID 106696737
methyl 5-acetyl-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxylate
CID 106696789

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid (CID 106696709) is 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(Nc2c(C)cc(C)cc2C)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ORTRMZUFZOIHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-7-5-8(2)11(9(3)6-7)16-15-17-12(14(19)20)13(21-15)10(4)18/h5-6H,1-4H3,(H,16,17)(H,19,20).
What are the key properties of 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).