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

C14H14N2O3S — CID 82154723

IUPAC4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(NC(=O)Cc2nc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C14H14N2O3S/c1-8-3-5-10(6-4-8)16-11(17)7-12-15-9(2)13(20-12)14(18)19/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPVTJJYUGGTYJJW-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds4

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

4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 82154723) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID82154723
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(NC(=O)Cc2nc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C14H14N2O3S/c1-8-3-5-10(6-4-8)16-11(17)7-12-15-9(2)13(20-12)14(18)19/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPVTJJYUGGTYJJW-UHFFFAOYSA-N
XLogP2.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154346
2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154739
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 14222582
2-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154731
2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154727
2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154260
4-methyl-2-[2-[2-[4-(4-methylphenyl)phenoxy]ethylamino]-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 9155283
2-(2-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169008
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
2-[4-(butanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163885
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid (CID 82154723) is 4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid is Cc1ccc(NC(=O)Cc2nc(C)c(C(=O)O)s2)cc1.
What is the InChIKey of 4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is PVTJJYUGGTYJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-3-5-10(6-4-8)16-11(17)7-12-15-9(2)13(20-12)14(18)19/h3-6H,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.64, 4 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-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82154723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).