2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid

C12H10Cl2N2O2S — CID 80569552

IUPAC2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(Cl)c(Nc2nc(C)c(C(=O)O)s2)c1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c1-5-3-4-7(13)9(8(5)14)16-12-15-6(2)10(19-12)11(17)18/h3-4H,1-2H3,(H,15,16)(H,17,18)
InChIKeyZKQJSFGFINKXCA-UHFFFAOYSA-N
MW317.20 g/mol
LogP4.51
Rot. Bonds3

About 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 80569552) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID80569552
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(Cl)c(Nc2nc(C)c(C(=O)O)s2)c1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c1-5-3-4-7(13)9(8(5)14)16-12-15-6(2)10(19-12)11(17)18/h3-4H,1-2H3,(H,15,16)(H,17,18)
InChIKeyZKQJSFGFINKXCA-UHFFFAOYSA-N
XLogP4.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 9154510
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
4-methyl-2-(2,3,4,5,6-pentafluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 115565223
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
2-[1-(2-chlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569922
6-(2,6-dichloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 66457328
5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546234
4-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80568831
4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570340
6-(2,6-dichloro-3-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 164516784
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
2-(1-benzothiophen-5-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570081

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 80569552) is 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1ccc(Cl)c(Nc2nc(C)c(C(=O)O)s2)c1Cl.
What is the InChIKey of 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZKQJSFGFINKXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-5-3-4-7(13)9(8(5)14)16-12-15-6(2)10(19-12)11(17)18/h3-4H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 317.20 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80569552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).