3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid

C10H6BrNO4S — CID 16787412

IUPAC3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(Br)o1
InChIInChI=1S/C10H6BrNO4S/c11-7-2-1-6(16-7)9(13)12-5-3-4-17-8(5)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyIMDWCMDQOLLWSW-UHFFFAOYSA-N
MW316.13 g/mol
LogP3.05
Rot. Bonds3

About 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid

3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 16787412) has the molecular formula C10H6BrNO4S and a molecular weight of 316.13 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID16787412
Molecular FormulaC10H6BrNO4S
Molecular Weight316.13 g/mol
Exact Mass314.92
IUPAC Name3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(Br)o1
InChIInChI=1S/C10H6BrNO4S/c11-7-2-1-6(16-7)9(13)12-5-3-4-17-8(5)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyIMDWCMDQOLLWSW-UHFFFAOYSA-N
XLogP3.05
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 16787412) is 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1ccc(Br)o1.
What is the InChIKey of 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is IMDWCMDQOLLWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO4S/c11-7-2-1-6(16-7)9(13)12-5-3-4-17-8(5)10(14)15/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 316.13 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 16787412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).