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

C13H14N2O3S — CID 82065160

IUPAC4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Nc2ccc(OC)cc2)sc1C(=O)O
InChIInChI=1S/C13H14N2O3S/c1-3-10-11(12(16)17)19-13(15-10)14-8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQLAPTOKSESPRMP-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.16
Rot. Bonds5

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

4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 82065160) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID82065160
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Nc2ccc(OC)cc2)sc1C(=O)O
InChIInChI=1S/C13H14N2O3S/c1-3-10-11(12(16)17)19-13(15-10)14-8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQLAPTOKSESPRMP-UHFFFAOYSA-N
XLogP3.16
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 62763927
4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 82065165
2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 10851198
4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969621
4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 19885472
4-methyl-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-5-carboxylic acid
CID 75176671
2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065234
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
4-ethyl-2-[(6-iodo-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 89258322
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343
4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20987539
[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 58260849

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid (CID 82065160) is 4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid is CCc1nc(Nc2ccc(OC)cc2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is QLAPTOKSESPRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-10-11(12(16)17)19-13(15-10)14-8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82065160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).