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

C14H16N2O4S — CID 64631499

IUPAC5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(OCC)c(Nc2scnc2C(=O)O)c1
InChIInChI=1S/C14H16N2O4S/c1-3-19-9-5-6-11(20-4-2)10(7-9)16-13-12(14(17)18)15-8-21-13/h5-8,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyKYHRKBHMPIJIME-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.38
Rot. Bonds7

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

5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64631499) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64631499
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(OCC)c(Nc2scnc2C(=O)O)c1
InChIInChI=1S/C14H16N2O4S/c1-3-19-9-5-6-11(20-4-2)10(7-9)16-13-12(14(17)18)15-8-21-13/h5-8,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyKYHRKBHMPIJIME-UHFFFAOYSA-N
XLogP3.38
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64630275
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64630915
5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107639805
4-(2,5-diethoxyanilino)butanoic acid
CID 18071438
5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629868
(2,5-diethoxyphenyl)hydrazine
CID 119006370
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine
CID 61146119
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
CID 115581858

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid (CID 64631499) is 5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid is CCOc1ccc(OCC)c(Nc2scnc2C(=O)O)c1.
What is the InChIKey of 5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KYHRKBHMPIJIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-3-19-9-5-6-11(20-4-2)10(7-9)16-13-12(14(17)18)15-8-21-13/h5-8,16H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid?
5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64631499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).