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

C14H16N2O2S — CID 9154510

IUPAC4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(C)c(Nc2nc(C)c(C(=O)O)s2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-7-5-8(2)11(9(3)6-7)16-14-15-10(4)12(19-14)13(17)18/h5-6H,1-4H3,(H,15,16)(H,17,18)
InChIKeyZGTBZXPYUQWENU-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.82
Rot. Bonds3

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

4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 9154510) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID9154510
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(C)c(Nc2nc(C)c(C(=O)O)s2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-7-5-8(2)11(9(3)6-7)16-14-15-10(4)12(19-14)13(17)18/h5-6H,1-4H3,(H,15,16)(H,17,18)
InChIKeyZGTBZXPYUQWENU-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 82065165
5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696709
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
4-methyl-2-(2,3,4,5,6-pentafluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 115565223
2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569552
4-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80568831
4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570340
2-(3,4-dicyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107794681
2-(3-bromo-4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 104781919
2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570081
2-(2-bromo-4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570556
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid (CID 9154510) is 4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid is Cc1cc(C)c(Nc2nc(C)c(C(=O)O)s2)c(C)c1.
What is the InChIKey of 4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZGTBZXPYUQWENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-7-5-8(2)11(9(3)6-7)16-14-15-10(4)12(19-14)13(17)18/h5-6H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 9154510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).