1-benzofuran;1,3-benzothiazole;ethane

C19H23NOS — CID 145188734

IUPAC1-benzofuran;1,3-benzothiazole;ethane
SMILESCC.CC.c1ccc2occc2c1.c1ccc2scnc2c1
InChIInChI=1S/C8H6O.C7H5NS.2C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;2*1-2/h1-6H;1-5H;2*1-2H3
InChIKeySDDOFEGINCOBNI-UHFFFAOYSA-N
MW313.47 g/mol
LogP6.78
Rot. Bonds

About 1-benzofuran;1,3-benzothiazole;ethane

1-benzofuran;1,3-benzothiazole;ethane (PubChem CID 145188734) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-benzofuran;1,3-benzothiazole;ethane.

Molecular Properties

Compound Name1-benzofuran;1,3-benzothiazole;ethane
PubChem CID145188734
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name1-benzofuran;1,3-benzothiazole;ethane
SMILESCC.CC.c1ccc2occc2c1.c1ccc2scnc2c1
InChIInChI=1S/C8H6O.C7H5NS.2C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;2*1-2/h1-6H;1-5H;2*1-2H3
InChIKeySDDOFEGINCOBNI-UHFFFAOYSA-N
XLogP6.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,3-benzothiazole;ethane?
The IUPAC name of 1-benzofuran;1,3-benzothiazole;ethane (CID 145188734) is 1-benzofuran;1,3-benzothiazole;ethane.
What is the SMILES notation for 1-benzofuran;1,3-benzothiazole;ethane?
The canonical SMILES for 1-benzofuran;1,3-benzothiazole;ethane is CC.CC.c1ccc2occc2c1.c1ccc2scnc2c1.
What is the InChIKey of 1-benzofuran;1,3-benzothiazole;ethane?
The InChIKey is SDDOFEGINCOBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C7H5NS.2C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;2*1-2/h1-6H;1-5H;2*1-2H3.
What are the key properties of 1-benzofuran;1,3-benzothiazole;ethane?
1-benzofuran;1,3-benzothiazole;ethane has a molecular weight of 313.47 g/mol, XLogP of 6.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1,3-benzothiazole;ethane is sourced from PubChem (CID 145188734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).