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

C11H9ClN2O2S — CID 80569393

IUPAC2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1nc(C(=O)O)cs1
InChIInChI=1S/C11H9ClN2O2S/c1-6-3-2-4-7(12)9(6)14-11-13-8(5-17-11)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCEFFMYDRMFWNAP-UHFFFAOYSA-N
MW268.73 g/mol
LogP3.55
Rot. Bonds3

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

2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 80569393) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID80569393
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(Cl)c1Nc1nc(C(=O)O)cs1
InChIInChI=1S/C11H9ClN2O2S/c1-6-3-2-4-7(12)9(6)14-11-13-8(5-17-11)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyCEFFMYDRMFWNAP-UHFFFAOYSA-N
XLogP3.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023890
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424811
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
CID 107372478
N-(2-chloro-6-methylphenyl)-2-[(4-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 54217612
6-(2-chloro-6-methylanilino)-5-nitropyridine-2-carboxylic acid
CID 114404275
2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024072
N-(2-chloro-6-methylphenyl)-2-[(1-methylbenzimidazol-5-yl)amino]-1,3-thiazole-4-carboxamide
CID 91531122
2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
CID 82030624
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-1,3-thiazole-4-carboxylic acid
CID 59837815

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid (CID 80569393) is 2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid is Cc1cccc(Cl)c1Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is CEFFMYDRMFWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-6-3-2-4-7(12)9(6)14-11-13-8(5-17-11)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.73 g/mol, XLogP of 3.55, 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)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80569393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).