(E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

C25H17N3O2S — CID 146190240

About (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

(E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 146190240) has the molecular formula C25H17N3O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
• PubChem CID: 146190240
• Molecular Formula: C25H17N3O2S
• Molecular Weight: 423.50 g/mol
• Exact Mass: 423.10
• IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
• SMILES: N#C/C(=C\c1ccc(O)c(-c2ccccc2)c1)C(=O)Nc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C25H17N3O2S/c26-15-20(13-17-11-12-23(29)21(14-17)18-7-3-1-4-8-18)24(30)28-25-27-22(16-31-25)19-9-5-2-6-10-19/h1-14,16,29H,(H,27,28,30)/b20-13+
• InChIKey: QIPRQZPESQPTDQ-DEDYPNTBSA-N
• XLogP: 5.73
• TPSA: 86.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.50
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?

The IUPAC name of (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 146190240) is (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

What is the SMILES notation for (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?

The canonical SMILES for (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is N#C/C(=C\c1ccc(O)c(-c2ccccc2)c1)C(=O)Nc1nc(-c2ccccc2)cs1.

What is the InChIKey of (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?

The InChIKey is QIPRQZPESQPTDQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C25H17N3O2S/c26-15-20(13-17-11-12-23(29)21(14-17)18-7-3-1-4-8-18)24(30)28-25-27-22(16-31-25)19-9-5-2-6-10-19/h1-14,16,29H,(H,27,28,30)/b20-13+.

What are the key properties of (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?

(E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 423.50 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-cyano-3-(4-hydroxy-3-phenylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 146190240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).