N-hydroxythiophene-3-carboxamide

C5H5NO2S — CID 24707952

IUPACN-hydroxythiophene-3-carboxamide
SMILESO=C(NO)c1ccsc1
InChIInChI=1S/C5H5NO2S/c7-5(6-8)4-1-2-9-3-4/h1-3,8H,(H,6,7)
InChIKeyHOCHMEPKLDRHQP-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.87
Rot. Bonds1

About N-hydroxythiophene-3-carboxamide

N-hydroxythiophene-3-carboxamide (PubChem CID 24707952) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is N-hydroxythiophene-3-carboxamide.

Molecular Properties

Compound NameN-hydroxythiophene-3-carboxamide
PubChem CID24707952
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC NameN-hydroxythiophene-3-carboxamide
SMILESO=C(NO)c1ccsc1
InChIInChI=1S/C5H5NO2S/c7-5(6-8)4-1-2-9-3-4/h1-3,8H,(H,6,7)
InChIKeyHOCHMEPKLDRHQP-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxythiophene-3-carboxamide?
The IUPAC name of N-hydroxythiophene-3-carboxamide (CID 24707952) is N-hydroxythiophene-3-carboxamide.
What is the SMILES notation for N-hydroxythiophene-3-carboxamide?
The canonical SMILES for N-hydroxythiophene-3-carboxamide is O=C(NO)c1ccsc1.
What is the InChIKey of N-hydroxythiophene-3-carboxamide?
The InChIKey is HOCHMEPKLDRHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-5(6-8)4-1-2-9-3-4/h1-3,8H,(H,6,7).
What are the key properties of N-hydroxythiophene-3-carboxamide?
N-hydroxythiophene-3-carboxamide has a molecular weight of 143.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxythiophene-3-carboxamide is sourced from PubChem (CID 24707952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).