2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C15H16N2O3S — CID 82154727

IUPAC2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(NC(=O)Cc2nc(C)c(C(=O)O)s2)c1C
InChIInChI=1S/C15H16N2O3S/c1-8-5-4-6-11(9(8)2)17-12(18)7-13-16-10(3)14(21-13)15(19)20/h4-6H,7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyCPLMULYTIHSOPU-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.95
Rot. Bonds4

About 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82154727) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID82154727
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(NC(=O)Cc2nc(C)c(C(=O)O)s2)c1C
InChIInChI=1S/C15H16N2O3S/c1-8-5-4-6-11(9(8)2)17-12(18)7-13-16-10(3)14(21-13)15(19)20/h4-6H,7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyCPLMULYTIHSOPU-UHFFFAOYSA-N
XLogP2.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154731
2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154722
2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154260
N-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484536
4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154346
4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630189
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 14222582
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 82154727) is 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1cccc(NC(=O)Cc2nc(C)c(C(=O)O)s2)c1C.
What is the InChIKey of 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CPLMULYTIHSOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-8-5-4-6-11(9(8)2)17-12(18)7-13-16-10(3)14(21-13)15(19)20/h4-6H,7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82154727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).