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

C12H12N2O3S — CID 64630275

IUPAC5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccccc1Nc1scnc1C(=O)O
InChIInChI=1S/C12H12N2O3S/c1-2-17-9-6-4-3-5-8(9)14-11-10(12(15)16)13-7-18-11/h3-7,14H,2H2,1H3,(H,15,16)
InChIKeyCDKIACUJNZCDEF-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.98
Rot. Bonds5

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

5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64630275) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64630275
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccccc1Nc1scnc1C(=O)O
InChIInChI=1S/C12H12N2O3S/c1-2-17-9-6-4-3-5-8(9)14-11-10(12(15)16)13-7-18-11/h3-7,14H,2H2,1H3,(H,15,16)
InChIKeyCDKIACUJNZCDEF-UHFFFAOYSA-N
XLogP2.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64631499
2-(2-ethoxyanilino)benzoic acid
CID 726510
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid
CID 84611034
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methyl-1,3-thiazole-5-carboxylate
CID 55768909
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid (CID 64630275) is 5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid is CCOc1ccccc1Nc1scnc1C(=O)O.
What is the InChIKey of 5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is CDKIACUJNZCDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-2-17-9-6-4-3-5-8(9)14-11-10(12(15)16)13-7-18-11/h3-7,14H,2H2,1H3,(H,15,16).
What are the key properties of 5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid?
5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64630275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).