2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

C13H12N2O3S — CID 82154722

IUPAC2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(=O)Nc2ccccc2)sc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-8-12(13(17)18)19-11(14-8)7-10(16)15-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyLTHRPKRQYDNRKC-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.33
Rot. Bonds4

About 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82154722) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID82154722
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(=O)Nc2ccccc2)sc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-8-12(13(17)18)19-11(14-8)7-10(16)15-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyLTHRPKRQYDNRKC-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 82154723
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 14222582
4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154346
2-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154731
2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169008
2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154739
2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154727
2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9233075
4-methyl-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154423
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413
2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154260
4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 28803701

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 82154722) is 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CC(=O)Nc2ccccc2)sc1C(=O)O.
What is the InChIKey of 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LTHRPKRQYDNRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-12(13(17)18)19-11(14-8)7-10(16)15-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82154722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).