methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate

C12H10Cl2N2O2S — CID 113306591

IUPACmethyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Nc2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C12H10Cl2N2O2S/c1-6-10(11(17)18-2)16-12(19-6)15-9-4-3-7(13)5-8(9)14/h3-5H,1-2H3,(H,15,16)
InChIKeyMLZQLACMFZPVPI-UHFFFAOYSA-N
MW317.20 g/mol
LogP4.29
Rot. Bonds3

About methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 113306591) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID113306591
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Namemethyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Nc2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C12H10Cl2N2O2S/c1-6-10(11(17)18-2)16-12(19-6)15-9-4-3-7(13)5-8(9)14/h3-5H,1-2H3,(H,15,16)
InChIKeyMLZQLACMFZPVPI-UHFFFAOYSA-N
XLogP4.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 2-(5-bromo-2-chloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424318
methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424812
5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid
CID 106696737
methyl 2-(2-bromoanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423233
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4185103
methyl 2-(5-cyano-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424241
methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate
CID 115424026
methyl 2-(2,6-dibromo-4-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422975
methyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306502
methyl 2-(2-bromo-5-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306372
N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126048866
methyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 115423111

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate (CID 113306591) is methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(Nc2ccc(Cl)cc2Cl)sc1C.
What is the InChIKey of methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is MLZQLACMFZPVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-6-10(11(17)18-2)16-12(19-6)15-9-4-3-7(13)5-8(9)14/h3-5H,1-2H3,(H,15,16).
What are the key properties of methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 317.20 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).