2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

C15H16N2O3S — CID 82154772

IUPAC2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C(C)C(=O)Nc2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-3-11-12(15(19)20)21-14(17-11)9(2)13(18)16-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyJWTVUAUCTBINBK-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.15
Rot. Bonds5

About 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82154772) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID82154772
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C(C)C(=O)Nc2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-3-11-12(15(19)20)21-14(17-11)9(2)13(18)16-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyJWTVUAUCTBINBK-UHFFFAOYSA-N
XLogP3.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9158614
4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid
CID 16642345
2-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9158618
2-[[benzyl(propan-2-yl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94970822
4-(phenoxymethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226748
2-[(2-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838467
2-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 9158332
2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 116705469
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
2-[2-[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158170
2-methyl-N-phenylpentanamide
CID 4627801
2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226441

Frequently Asked Questions

What is the IUPAC name of 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 82154772) is 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(C(C)C(=O)Nc2ccccc2)sc1C(=O)O.
What is the InChIKey of 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JWTVUAUCTBINBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-11-12(15(19)20)21-14(17-11)9(2)13(18)16-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-anilino-1-oxopropan-2-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82154772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).