3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid

C14H15NO4S — CID 83034674

IUPAC3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(OC)c(-c2sc(C(=O)O)c(N)c2C)c1
InChIInChI=1S/C14H15NO4S/c1-7-11(15)13(14(16)17)20-12(7)9-6-8(18-2)4-5-10(9)19-3/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyYKAZULVZUZNILO-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.02
Rot. Bonds4

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

3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 83034674) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
PubChem CID83034674
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(OC)c(-c2sc(C(=O)O)c(N)c2C)c1
InChIInChI=1S/C14H15NO4S/c1-7-11(15)13(14(16)17)20-12(7)9-6-8(18-2)4-5-10(9)19-3/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyYKAZULVZUZNILO-UHFFFAOYSA-N
XLogP3.02
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(2-methoxy-4-nitrophenyl)-4-methylthiophene-2-carboxylic acid
CID 104783575
3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83036757
3-amino-5-(2-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 83035985
3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035980
3-amino-5-(2-bromophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035790
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
3-amino-5-(2-bromo-5-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83033919
3-amino-5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035784
3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
CID 53227230
3-amino-4-methyl-5-(5-methylthiophen-2-yl)thiophene-2-carboxylic acid
CID 83034931
3-amino-4-methyl-5-(3-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 83035572
3-amino-5-(3,4-difluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83034938

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid (CID 83034674) is 3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid is COc1ccc(OC)c(-c2sc(C(=O)O)c(N)c2C)c1.
What is the InChIKey of 3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is YKAZULVZUZNILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-7-11(15)13(14(16)17)20-12(7)9-6-8(18-2)4-5-10(9)19-3/h4-6H,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 83034674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).