4-amino-5-phenylthiophene-3-carboxylic acid

C11H9NO2S — CID 13055935

IUPAC4-amino-5-phenylthiophene-3-carboxylic acid
SMILESNc1c(C(=O)O)csc1-c1ccccc1
InChIInChI=1S/C11H9NO2S/c12-9-8(11(13)14)6-15-10(9)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)
InChIKeyZXGGUYQIMVTIEC-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.70
Rot. Bonds2

About 4-amino-5-phenylthiophene-3-carboxylic acid

4-amino-5-phenylthiophene-3-carboxylic acid (PubChem CID 13055935) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-amino-5-phenylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-phenylthiophene-3-carboxylic acid
PubChem CID13055935
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name4-amino-5-phenylthiophene-3-carboxylic acid
SMILESNc1c(C(=O)O)csc1-c1ccccc1
InChIInChI=1S/C11H9NO2S/c12-9-8(11(13)14)6-15-10(9)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)
InChIKeyZXGGUYQIMVTIEC-UHFFFAOYSA-N
XLogP2.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-phenylthiophene-3-carboxylic acid?
The IUPAC name of 4-amino-5-phenylthiophene-3-carboxylic acid (CID 13055935) is 4-amino-5-phenylthiophene-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-phenylthiophene-3-carboxylic acid?
The canonical SMILES for 4-amino-5-phenylthiophene-3-carboxylic acid is Nc1c(C(=O)O)csc1-c1ccccc1.
What is the InChIKey of 4-amino-5-phenylthiophene-3-carboxylic acid?
The InChIKey is ZXGGUYQIMVTIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c12-9-8(11(13)14)6-15-10(9)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14).
What are the key properties of 4-amino-5-phenylthiophene-3-carboxylic acid?
4-amino-5-phenylthiophene-3-carboxylic acid has a molecular weight of 219.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-phenylthiophene-3-carboxylic acid is sourced from PubChem (CID 13055935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).