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

C13H14N2O2S — CID 64628867

IUPAC5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCc1cccc(C)c1Nc1scnc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-3-9-6-4-5-8(2)10(9)15-12-11(13(16)17)14-7-18-12/h4-7,15H,3H2,1-2H3,(H,16,17)
InChIKeyLJRNXPODKMRLDX-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.46
Rot. Bonds4

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

5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64628867) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64628867
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCc1cccc(C)c1Nc1scnc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-3-9-6-4-5-8(2)10(9)15-12-11(13(16)17)14-7-18-12/h4-7,15H,3H2,1-2H3,(H,16,17)
InChIKeyLJRNXPODKMRLDX-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.46
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
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64630275
5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510392
6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
CID 82306131
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696510
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
5-chloro-2-(2-ethyl-6-methylanilino)benzoic acid
CID 63528499
4-(2-ethyl-6-methylanilino)-3-fluorobenzoic acid
CID 82306613
5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64630915

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid (CID 64628867) is 5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid is CCc1cccc(C)c1Nc1scnc1C(=O)O.
What is the InChIKey of 5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is LJRNXPODKMRLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-9-6-4-5-8(2)10(9)15-12-11(13(16)17)14-7-18-12/h4-7,15H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid?
5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64628867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).