4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide

C15H12N2OS — CID 54430955

IUPAC4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(C=Cc3ccco3)cccc2s1
InChIInChI=1S/C15H12N2OS/c16-15(17)14-9-12-10(3-1-5-13(12)19-14)6-7-11-4-2-8-18-11/h1-9H,(H3,16,17)
InChIKeyWHLBDBAZBCCFOF-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.95
Rot. Bonds3

About 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide

4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide (PubChem CID 54430955) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide
PubChem CID54430955
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(C=Cc3ccco3)cccc2s1
InChIInChI=1S/C15H12N2OS/c16-15(17)14-9-12-10(3-1-5-13(12)19-14)6-7-11-4-2-8-18-11/h1-9H,(H3,16,17)
InChIKeyWHLBDBAZBCCFOF-UHFFFAOYSA-N
XLogP3.95
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide?
The IUPAC name of 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide (CID 54430955) is 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1cc2c(C=Cc3ccco3)cccc2s1.
What is the InChIKey of 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide?
The InChIKey is WHLBDBAZBCCFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-15(17)14-9-12-10(3-1-5-13(12)19-14)6-7-11-4-2-8-18-11/h1-9H,(H3,16,17).
What are the key properties of 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide?
4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide has a molecular weight of 268.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 54430955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).