[5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid

C10H10BNO3S — CID 23655307

IUPAC[5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid
SMILESO=CNCc1ccc2sc(B(O)O)cc2c1
InChIInChI=1S/C10H10BNO3S/c13-6-12-5-7-1-2-9-8(3-7)4-10(16-9)11(14)15/h1-4,6,14-15H,5H2,(H,12,13)
InChIKeyHGLTXGPYNBUTBC-UHFFFAOYSA-N
MW235.07 g/mol
LogP-0.17
Rot. Bonds4

About [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid

[5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid (PubChem CID 23655307) has the molecular formula C10H10BNO3S and a molecular weight of 235.07 g/mol. Its IUPAC name is [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid.

Molecular Properties

Compound Name[5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid
PubChem CID23655307
Molecular FormulaC10H10BNO3S
Molecular Weight235.07 g/mol
Exact Mass235.05
IUPAC Name[5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid
SMILESO=CNCc1ccc2sc(B(O)O)cc2c1
InChIInChI=1S/C10H10BNO3S/c13-6-12-5-7-1-2-9-8(3-7)4-10(16-9)11(14)15/h1-4,6,14-15H,5H2,(H,12,13)
InChIKeyHGLTXGPYNBUTBC-UHFFFAOYSA-N
XLogP-0.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid?
The IUPAC name of [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid (CID 23655307) is [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid.
What is the SMILES notation for [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid?
The canonical SMILES for [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid is O=CNCc1ccc2sc(B(O)O)cc2c1.
What is the InChIKey of [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid?
The InChIKey is HGLTXGPYNBUTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BNO3S/c13-6-12-5-7-1-2-9-8(3-7)4-10(16-9)11(14)15/h1-4,6,14-15H,5H2,(H,12,13).
What are the key properties of [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid?
[5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid has a molecular weight of 235.07 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(formamidomethyl)-1-benzothiophen-2-yl]boronic acid is sourced from PubChem (CID 23655307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).