3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid

C14H14BrNO2S — CID 83034434

IUPAC3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCC(C)c1c(-c2ccccc2Br)sc(C(=O)O)c1N
InChIInChI=1S/C14H14BrNO2S/c1-7(2)10-11(16)13(14(17)18)19-12(10)8-5-3-4-6-9(8)15/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyQXEYVWYHFWHYRJ-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.58
Rot. Bonds3

About 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid

3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid (PubChem CID 83034434) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid
PubChem CID83034434
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCC(C)c1c(-c2ccccc2Br)sc(C(=O)O)c1N
InChIInChI=1S/C14H14BrNO2S/c1-7(2)10-11(16)13(14(17)18)19-12(10)8-5-3-4-6-9(8)15/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyQXEYVWYHFWHYRJ-UHFFFAOYSA-N
XLogP4.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-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-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid (CID 83034434) is 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid is CC(C)c1c(-c2ccccc2Br)sc(C(=O)O)c1N.
What is the InChIKey of 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid?
The InChIKey is QXEYVWYHFWHYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-7(2)10-11(16)13(14(17)18)19-12(10)8-5-3-4-6-9(8)15/h3-7H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid?
3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid has a molecular weight of 340.24 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-bromophenyl)-4-propan-2-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 83034434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).