5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid

C12H8Cl2N2O3S — CID 106696737

IUPAC5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(Nc2ccc(Cl)cc2Cl)nc1C(=O)O
InChIInChI=1S/C12H8Cl2N2O3S/c1-5(17)10-9(11(18)19)16-12(20-10)15-8-3-2-6(13)4-7(8)14/h2-4H,1H3,(H,15,16)(H,18,19)
InChIKeyBVJAZJSHYSQVNO-UHFFFAOYSA-N
MW331.18 g/mol
LogP4.09
Rot. Bonds4

About 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696737) has the molecular formula C12H8Cl2N2O3S and a molecular weight of 331.18 g/mol. Its IUPAC name is 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID106696737
Molecular FormulaC12H8Cl2N2O3S
Molecular Weight331.18 g/mol
Exact Mass329.96
IUPAC Name5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(Nc2ccc(Cl)cc2Cl)nc1C(=O)O
InChIInChI=1S/C12H8Cl2N2O3S/c1-5(17)10-9(11(18)19)16-12(20-10)15-8-3-2-6(13)4-7(8)14/h2-4H,1H3,(H,15,16)(H,18,19)
InChIKeyBVJAZJSHYSQVNO-UHFFFAOYSA-N
XLogP4.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-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

5-acetyl-2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696876
5-acetyl-2-(2-chloro-4-cyanoanilino)-1,3-thiazole-4-carboxylic acid
CID 107810511
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4185103
5-acetyl-2-(4-bromo-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696739
5-acetyl-2-(3,5-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107580557
methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306591
5-acetyl-2-(3,4,5-trifluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 106697529
5-acetyl-2-(5-bromo-4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107590464
5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696709
5-acetyl-2-(4-bromo-3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 107580542
methyl 5-acetyl-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106696667
5-acetyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697269

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid (CID 106696737) is 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(Nc2ccc(Cl)cc2Cl)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is BVJAZJSHYSQVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3S/c1-5(17)10-9(11(18)19)16-12(20-10)15-8-3-2-6(13)4-7(8)14/h2-4H,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 331.18 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).