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

C12H11ClN2O2S — CID 115424811

IUPAC2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C12H11ClN2O2S/c1-6-4-3-5-8(13)9(6)14-12-15-10(11(16)17)7(2)18-12/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyXTHZDYHQNMGOOG-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.86
Rot. Bonds3

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

2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115424811) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115424811
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C12H11ClN2O2S/c1-6-4-3-5-8(13)9(6)14-12-15-10(11(16)17)7(2)18-12/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyXTHZDYHQNMGOOG-UHFFFAOYSA-N
XLogP3.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424812
2-(3-chloro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306588
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423702
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306940
2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306662
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
CID 107372478
5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid
CID 66256105
[4-amino-2-(2,6-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
CID 46285676

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115424811) is 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1cccc(Cl)c1Nc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is XTHZDYHQNMGOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-6-4-3-5-8(13)9(6)14-12-15-10(11(16)17)7(2)18-12/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 282.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115424811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).