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

C15H16N2O3S — CID 16642345

IUPAC4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(NC(=O)C(C)c2nc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-8-4-6-11(7-5-8)17-13(18)9(2)14-16-10(3)12(21-14)15(19)20/h4-7,9H,1-3H3,(H,17,18)(H,19,20)
InChIKeyHNUYGKLBQNOSDA-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.20
Rot. Bonds4

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

4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 16642345) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID16642345
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(NC(=O)C(C)c2nc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-8-4-6-11(7-5-8)17-13(18)9(2)14-16-10(3)12(21-14)15(19)20/h4-7,9H,1-3H3,(H,17,18)(H,19,20)
InChIKeyHNUYGKLBQNOSDA-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9158618
2-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9158614
2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 82154772
4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 82154723
N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 82155285
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721123
2-[4-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163891
2-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9158828
2-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9158713
2-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 9158332
4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 75518239
2-[4-(butanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid (CID 16642345) is 4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid is Cc1ccc(NC(=O)C(C)c2nc(C)c(C(=O)O)s2)cc1.
What is the InChIKey of 4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is HNUYGKLBQNOSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-8-4-6-11(7-5-8)17-13(18)9(2)14-16-10(3)12(21-14)15(19)20/h4-7,9H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 16642345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).