3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

C23H16N2OS — CID 2841121

About 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (PubChem CID 2841121) has the molecular formula C23H16N2OS and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.

Molecular Properties

• Compound Name: 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
• PubChem CID: 2841121
• Molecular Formula: C23H16N2OS
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.10
• IUPAC Name: 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
• SMILES: Cc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)o1
• InChI: InChI=1S/C23H16N2OS/c1-16-7-12-21(26-16)13-20(14-24)23-25-22(15-27-23)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-13,15H,1H3
• InChIKey: HCQFZAIYKRZWLM-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 49.82 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	6.44
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 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?

The IUPAC name of 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CID 2841121) is 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.

What is the SMILES notation for 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?

The canonical SMILES for 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is Cc1ccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)o1.

What is the InChIKey of 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?

The InChIKey is HCQFZAIYKRZWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2OS/c1-16-7-12-21(26-16)13-20(14-24)23-25-22(15-27-23)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-13,15H,1H3.

What are the key properties of 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?

3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile has a molecular weight of 368.46 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is sourced from PubChem (CID 2841121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).