(E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile

C26H16N2OS — CID 18864012

About (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile

(E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile (PubChem CID 18864012) has the molecular formula C26H16N2OS and a molecular weight of 404.49 g/mol. Its IUPAC name is (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

• Compound Name: (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
• PubChem CID: 18864012
• Molecular Formula: C26H16N2OS
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.10
• IUPAC Name: (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
• SMILES: N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2ccc3ccccc3c2)cs1
• InChI: InChI=1S/C26H16N2OS/c27-16-22(15-23-12-13-25(29-23)19-7-2-1-3-8-19)26-28-24(17-30-26)21-11-10-18-6-4-5-9-20(18)14-21/h1-15,17H/b22-15+
• InChIKey: LXTQFKPODJIQCX-PXLXIMEGSA-N
• XLogP: 7.29
• TPSA: 49.82 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile?

The IUPAC name of (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile (CID 18864012) is (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile.

What is the SMILES notation for (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile?

The canonical SMILES for (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile is N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2ccc3ccccc3c2)cs1.

What is the InChIKey of (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile?

The InChIKey is LXTQFKPODJIQCX-PXLXIMEGSA-N. The full InChI is InChI=1S/C26H16N2OS/c27-16-22(15-23-12-13-25(29-23)19-7-2-1-3-8-19)26-28-24(17-30-26)21-11-10-18-6-4-5-9-20(18)14-21/h1-15,17H/b22-15+.

What are the key properties of (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile?

(E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile has a molecular weight of 404.49 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 18864012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).