3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid

C10H11N3O3S2 — CID 161477477

IUPAC3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid
SMILESNC(=O)c1sccc1N.Nc1ccsc1C(=O)O
InChIInChI=1S/C5H6N2OS.C5H5NO2S/c2*6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H2,7,8);1-2H,6H2,(H,7,8)
InChIKeyWDXDPRNQLQLKCK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.46
Rot. Bonds2

About 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid

3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid (PubChem CID 161477477) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid
PubChem CID161477477
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC Name3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid
SMILESNC(=O)c1sccc1N.Nc1ccsc1C(=O)O
InChIInChI=1S/C5H6N2OS.C5H5NO2S/c2*6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H2,7,8);1-2H,6H2,(H,7,8)
InChIKeyWDXDPRNQLQLKCK-UHFFFAOYSA-N
XLogP1.46
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid?
The IUPAC name of 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid (CID 161477477) is 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid.
What is the SMILES notation for 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid?
The canonical SMILES for 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid is NC(=O)c1sccc1N.Nc1ccsc1C(=O)O.
What is the InChIKey of 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid?
The InChIKey is WDXDPRNQLQLKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS.C5H5NO2S/c2*6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H2,7,8);1-2H,6H2,(H,7,8).
What are the key properties of 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid?
3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid is sourced from PubChem (CID 161477477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).