6-hydroxy-1-benzothiophene-3-carboxamide

C9H7NO2S — CID 69445957

IUPAC6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1csc2cc(O)ccc12
InChIInChI=1S/C9H7NO2S/c10-9(12)7-4-13-8-3-5(11)1-2-6(7)8/h1-4,11H,(H2,10,12)
InChIKeyCGNYUFRXQYBISV-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.71
Rot. Bonds1

About 6-hydroxy-1-benzothiophene-3-carboxamide

6-hydroxy-1-benzothiophene-3-carboxamide (PubChem CID 69445957) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 6-hydroxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-1-benzothiophene-3-carboxamide
PubChem CID69445957
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name6-hydroxy-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1csc2cc(O)ccc12
InChIInChI=1S/C9H7NO2S/c10-9(12)7-4-13-8-3-5(11)1-2-6(7)8/h1-4,11H,(H2,10,12)
InChIKeyCGNYUFRXQYBISV-UHFFFAOYSA-N
XLogP1.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-hydroxy-1-benzothiophene-3-carboxamide (CID 69445957) is 6-hydroxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-hydroxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-hydroxy-1-benzothiophene-3-carboxamide is NC(=O)c1csc2cc(O)ccc12.
What is the InChIKey of 6-hydroxy-1-benzothiophene-3-carboxamide?
The InChIKey is CGNYUFRXQYBISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c10-9(12)7-4-13-8-3-5(11)1-2-6(7)8/h1-4,11H,(H2,10,12).
What are the key properties of 6-hydroxy-1-benzothiophene-3-carboxamide?
6-hydroxy-1-benzothiophene-3-carboxamide has a molecular weight of 193.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 69445957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).