4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one

C15H11NOS2 — CID 170876449

IUPAC4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one
SMILESO=C1NC(c2cc3ccccc3s2)C1c1ccsc1
InChIInChI=1S/C15H11NOS2/c17-15-13(10-5-6-18-8-10)14(16-15)12-7-9-3-1-2-4-11(9)19-12/h1-8,13-14H,(H,16,17)
InChIKeyKZOGXHNGDQICPI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.92
Rot. Bonds2

About 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one

4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one (PubChem CID 170876449) has the molecular formula C15H11NOS2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one
PubChem CID170876449
Molecular FormulaC15H11NOS2
Molecular Weight285.39 g/mol
Exact Mass285.03
IUPAC Name4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one
SMILESO=C1NC(c2cc3ccccc3s2)C1c1ccsc1
InChIInChI=1S/C15H11NOS2/c17-15-13(10-5-6-18-8-10)14(16-15)12-7-9-3-1-2-4-11(9)19-12/h1-8,13-14H,(H,16,17)
InChIKeyKZOGXHNGDQICPI-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one?
The IUPAC name of 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one (CID 170876449) is 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one is O=C1NC(c2cc3ccccc3s2)C1c1ccsc1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one?
The InChIKey is KZOGXHNGDQICPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS2/c17-15-13(10-5-6-18-8-10)14(16-15)12-7-9-3-1-2-4-11(9)19-12/h1-8,13-14H,(H,16,17).
What are the key properties of 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one?
4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one is sourced from PubChem (CID 170876449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).