3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid

C14H11NO2S2 — CID 83034681

IUPAC3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1c(-c2csc3ccccc23)sc(C(=O)O)c1N
InChIInChI=1S/C14H11NO2S2/c1-7-11(15)13(14(16)17)19-12(7)9-6-18-10-5-3-2-4-8(9)10/h2-6H,15H2,1H3,(H,16,17)
InChIKeySNPPEPXPTWQZSO-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.22
Rot. Bonds2

About 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid

3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid (PubChem CID 83034681) has the molecular formula C14H11NO2S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid
PubChem CID83034681
Molecular FormulaC14H11NO2S2
Molecular Weight289.38 g/mol
Exact Mass289.02
IUPAC Name3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid
SMILESCc1c(-c2csc3ccccc23)sc(C(=O)O)c1N
InChIInChI=1S/C14H11NO2S2/c1-7-11(15)13(14(16)17)19-12(7)9-6-18-10-5-3-2-4-8(9)10/h2-6H,15H2,1H3,(H,16,17)
InChIKeySNPPEPXPTWQZSO-UHFFFAOYSA-N
XLogP4.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-(1-benzothiophen-3-yl)-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid (CID 83034681) is 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid is Cc1c(-c2csc3ccccc23)sc(C(=O)O)c1N.
What is the InChIKey of 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is SNPPEPXPTWQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2/c1-7-11(15)13(14(16)17)19-12(7)9-6-18-10-5-3-2-4-8(9)10/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid?
3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-benzothiophen-3-yl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 83034681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).