4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid

C19H16N2O4S — CID 9154346

IUPAC4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)sc1C(=O)O
InChIInChI=1S/C19H16N2O4S/c1-12-18(19(23)24)26-17(20-12)11-16(22)21-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyDUNQNWWUFMOLJR-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.12
Rot. Bonds6

About 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 9154346) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID9154346
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)sc1C(=O)O
InChIInChI=1S/C19H16N2O4S/c1-12-18(19(23)24)26-17(20-12)11-16(22)21-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyDUNQNWWUFMOLJR-UHFFFAOYSA-N
XLogP4.12
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-anilino-2-oxoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154722
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
2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154739
2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110387303
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
4-methyl-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154423
2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154727
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413
4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18593832
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid (CID 9154346) is 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is DUNQNWWUFMOLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-12-18(19(23)24)26-17(20-12)11-16(22)21-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 368.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 9154346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).