5-acetyl-3-aminothiophene-2-carboxylic acid

C7H7NO3S — CID 82406255

IUPAC5-acetyl-3-aminothiophene-2-carboxylic acid
SMILESCC(=O)c1cc(N)c(C(=O)O)s1
InChIInChI=1S/C7H7NO3S/c1-3(9)5-2-4(8)6(12-5)7(10)11/h2H,8H2,1H3,(H,10,11)
InChIKeyPCGHWOZNWINACW-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.23
Rot. Bonds2

About 5-acetyl-3-aminothiophene-2-carboxylic acid

5-acetyl-3-aminothiophene-2-carboxylic acid (PubChem CID 82406255) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-acetyl-3-aminothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-3-aminothiophene-2-carboxylic acid
PubChem CID82406255
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name5-acetyl-3-aminothiophene-2-carboxylic acid
SMILESCC(=O)c1cc(N)c(C(=O)O)s1
InChIInChI=1S/C7H7NO3S/c1-3(9)5-2-4(8)6(12-5)7(10)11/h2H,8H2,1H3,(H,10,11)
InChIKeyPCGHWOZNWINACW-UHFFFAOYSA-N
XLogP1.23
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-aminothiophene-2-carboxylic acid?
The IUPAC name of 5-acetyl-3-aminothiophene-2-carboxylic acid (CID 82406255) is 5-acetyl-3-aminothiophene-2-carboxylic acid.
What is the SMILES notation for 5-acetyl-3-aminothiophene-2-carboxylic acid?
The canonical SMILES for 5-acetyl-3-aminothiophene-2-carboxylic acid is CC(=O)c1cc(N)c(C(=O)O)s1.
What is the InChIKey of 5-acetyl-3-aminothiophene-2-carboxylic acid?
The InChIKey is PCGHWOZNWINACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c1-3(9)5-2-4(8)6(12-5)7(10)11/h2H,8H2,1H3,(H,10,11).
What are the key properties of 5-acetyl-3-aminothiophene-2-carboxylic acid?
5-acetyl-3-aminothiophene-2-carboxylic acid has a molecular weight of 185.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-aminothiophene-2-carboxylic acid is sourced from PubChem (CID 82406255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).