3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid

C14H15NO3S — CID 83036198

IUPAC3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCCOc1ccc(-c2sc(C(=O)O)c(N)c2C)cc1
InChIInChI=1S/C14H15NO3S/c1-3-18-10-6-4-9(5-7-10)12-8(2)11(15)13(19-12)14(16)17/h4-7H,3,15H2,1-2H3,(H,16,17)
InChIKeyRGVNBVZZQUFSEB-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.40
Rot. Bonds4

About 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid

3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 83036198) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid
PubChem CID83036198
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCCOc1ccc(-c2sc(C(=O)O)c(N)c2C)cc1
InChIInChI=1S/C14H15NO3S/c1-3-18-10-6-4-9(5-7-10)12-8(2)11(15)13(19-12)14(16)17/h4-7H,3,15H2,1-2H3,(H,16,17)
InChIKeyRGVNBVZZQUFSEB-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

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Related Compounds

3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83034427
5-(3-aminophenyl)-3-ethoxy-4-methylthiophene-2-carboxylic acid
CID 167471153
3-amino-4-methyl-5-(3-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 83035572
3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83034674
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510956
ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 63398439
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
3-amino-5-(2-bromophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035790
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid (CID 83036198) is 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid is CCOc1ccc(-c2sc(C(=O)O)c(N)c2C)cc1.
What is the InChIKey of 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is RGVNBVZZQUFSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-18-10-6-4-9(5-7-10)12-8(2)11(15)13(19-12)14(16)17/h4-7H,3,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
3-amino-5-(4-ethoxyphenyl)-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 3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 83036198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).