5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid

C14H15NO3S — CID 167471153

IUPAC5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid
SMILESCCOc1c(C(=O)O)sc(-c2cccc(N)c2)c1C
InChIInChI=1S/C14H15NO3S/c1-3-18-11-8(2)12(19-13(11)14(16)17)9-5-4-6-10(15)7-9/h4-7H,3,15H2,1-2H3,(H,16,17)
InChIKeyINBQYWBMKUKELN-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.40
Rot. Bonds4

About 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid

5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid (PubChem CID 167471153) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid
PubChem CID167471153
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid
SMILESCCOc1c(C(=O)O)sc(-c2cccc(N)c2)c1C
InChIInChI=1S/C14H15NO3S/c1-3-18-11-8(2)12(19-13(11)14(16)17)9-5-4-6-10(15)7-9/h4-7H,3,15H2,1-2H3,(H,16,17)
InChIKeyINBQYWBMKUKELN-UHFFFAOYSA-N
XLogP3.40
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-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

5-(3-aminophenyl)-4-chloro-3-(2,2-dihydroxyethoxy)thiophene-2-carboxylic acid
CID 167470192
3-(carboxymethoxy)-5-[3-(ethylsulfonylamino)phenyl]-4-methylthiophene-2-carboxylic acid
CID 68833726
3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83036198
3-amino-4-methyl-5-(3-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 83035572
5-[3-(2,1,3-benzoxadiazol-5-ylmethoxy)phenyl]-3-(carboxymethoxy)-4-methylthiophene-2-carboxylic acid
CID 68832232
4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226719
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660
3-(carboxymethoxy)-4-methyl-5-[3-[(4-phenoxyphenyl)methylamino]phenyl]thiophene-2-carboxylic acid
CID 68834601
4-(3-aminophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82226903
3-(carboxymethoxy)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 68834526
3-(carboxymethoxy)-5-[3-[(1-ethylsulfonylpiperidin-4-yl)amino]phenyl]-4-methylthiophene-2-carboxylic acid
CID 68836012
3-(carboxymethoxy)-5-[3-[(3-fluoro-4-methylanilino)methyl]phenyl]-4-methylthiophene-2-carboxylic acid
CID 68835244

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid (CID 167471153) is 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid is CCOc1c(C(=O)O)sc(-c2cccc(N)c2)c1C.
What is the InChIKey of 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid?
The InChIKey is INBQYWBMKUKELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-18-11-8(2)12(19-13(11)14(16)17)9-5-4-6-10(15)7-9/h4-7H,3,15H2,1-2H3,(H,16,17).
What are the key properties of 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid?
5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 167471153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).