3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid

C9H7NO3S — CID 83034402

IUPAC3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid
SMILESNc1cc(-c2ccoc2)sc1C(=O)O
InChIInChI=1S/C9H7NO3S/c10-6-3-7(5-1-2-13-4-5)14-8(6)9(11)12/h1-4H,10H2,(H,11,12)
InChIKeyCZMIHKVHDPTCCI-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.29
Rot. Bonds2

About 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid

3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid (PubChem CID 83034402) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid
PubChem CID83034402
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid
SMILESNc1cc(-c2ccoc2)sc1C(=O)O
InChIInChI=1S/C9H7NO3S/c10-6-3-7(5-1-2-13-4-5)14-8(6)9(11)12/h1-4H,10H2,(H,11,12)
InChIKeyCZMIHKVHDPTCCI-UHFFFAOYSA-N
XLogP2.29
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid (CID 83034402) is 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid is Nc1cc(-c2ccoc2)sc1C(=O)O.
What is the InChIKey of 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid?
The InChIKey is CZMIHKVHDPTCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c10-6-3-7(5-1-2-13-4-5)14-8(6)9(11)12/h1-4H,10H2,(H,11,12).
What are the key properties of 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid?
3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83034402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).