5-ethynyl-N-hydroxythiophene-2-carboxamide

C7H5NO2S — CID 71513761

IUPAC5-ethynyl-N-hydroxythiophene-2-carboxamide
SMILESC#Cc1ccc(C(=O)NO)s1
InChIInChI=1S/C7H5NO2S/c1-2-5-3-4-6(11-5)7(9)8-10/h1,3-4,10H,(H,8,9)
InChIKeyKPBJLFAWHZIGBH-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.85
Rot. Bonds1

About 5-ethynyl-N-hydroxythiophene-2-carboxamide

5-ethynyl-N-hydroxythiophene-2-carboxamide (PubChem CID 71513761) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 5-ethynyl-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethynyl-N-hydroxythiophene-2-carboxamide
PubChem CID71513761
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name5-ethynyl-N-hydroxythiophene-2-carboxamide
SMILESC#Cc1ccc(C(=O)NO)s1
InChIInChI=1S/C7H5NO2S/c1-2-5-3-4-6(11-5)7(9)8-10/h1,3-4,10H,(H,8,9)
InChIKeyKPBJLFAWHZIGBH-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.85
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-ethynyl-N-hydroxythiophene-2-carboxamide (CID 71513761) is 5-ethynyl-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-ethynyl-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-ethynyl-N-hydroxythiophene-2-carboxamide is C#Cc1ccc(C(=O)NO)s1.
What is the InChIKey of 5-ethynyl-N-hydroxythiophene-2-carboxamide?
The InChIKey is KPBJLFAWHZIGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c1-2-5-3-4-6(11-5)7(9)8-10/h1,3-4,10H,(H,8,9).
What are the key properties of 5-ethynyl-N-hydroxythiophene-2-carboxamide?
5-ethynyl-N-hydroxythiophene-2-carboxamide has a molecular weight of 167.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 71513761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).