4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid

C13H14N2O3S — CID 82226714

IUPAC4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOc1ccc(-c2nc(C)sc2C(=O)O)cc1N
InChIInChI=1S/C13H14N2O3S/c1-3-18-10-5-4-8(6-9(10)14)11-12(13(16)17)19-7(2)15-11/h4-6H,3,14H2,1-2H3,(H,16,17)
InChIKeySKIMNEONMGUPAL-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.80
Rot. Bonds4

About 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid

4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226714) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID82226714
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOc1ccc(-c2nc(C)sc2C(=O)O)cc1N
InChIInChI=1S/C13H14N2O3S/c1-3-18-10-5-4-8(6-9(10)14)11-12(13(16)17)19-7(2)15-11/h4-6H,3,14H2,1-2H3,(H,16,17)
InChIKeySKIMNEONMGUPAL-UHFFFAOYSA-N
XLogP2.80
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95482127
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226719
4-(4-chloro-3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 174768563
4-(3-amino-4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82225738
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
4-(3-amino-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227042
2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 90854958
4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
5-(3-amino-4-ethoxyphenyl)-1-ethyltriazole-4-carboxylic acid
CID 82207202

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid (CID 82226714) is 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid is CCOc1ccc(-c2nc(C)sc2C(=O)O)cc1N.
What is the InChIKey of 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SKIMNEONMGUPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-18-10-5-4-8(6-9(10)14)11-12(13(16)17)19-7(2)15-11/h4-6H,3,14H2,1-2H3,(H,16,17).
What are the key properties of 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).