4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile

C24H23F2N5O2S — CID 6903264

About 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile

4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile (PubChem CID 6903264) has the molecular formula C24H23F2N5O2S and a molecular weight of 483.54 g/mol. Its IUPAC name is 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
• PubChem CID: 6903264
• Molecular Formula: C24H23F2N5O2S
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.15
• IUPAC Name: 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
• SMILES: N#Cc1ccc(/C=N/n2c(-c3ccc(OC(F)F)cc3)cs/c2=N\CCN2CCOCC2)cc1
• InChI: InChI=1S/C24H23F2N5O2S/c25-23(26)33-21-7-5-20(6-8-21)22-17-34-24(28-9-10-30-11-13-32-14-12-30)31(22)29-16-19-3-1-18(15-27)2-4-19/h1-8,16-17,23H,9-14H2/b28-24-,29-16+
• InChIKey: CQMATPPDMXZDLV-OXRWYPCCSA-N
• XLogP: 3.80
• TPSA: 75.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile?

The IUPAC name of 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile (CID 6903264) is 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile.

What is the SMILES notation for 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile?

The canonical SMILES for 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile is N#Cc1ccc(/C=N/n2c(-c3ccc(OC(F)F)cc3)cs/c2=N\CCN2CCOCC2)cc1.

What is the InChIKey of 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile?

The InChIKey is CQMATPPDMXZDLV-OXRWYPCCSA-N. The full InChI is InChI=1S/C24H23F2N5O2S/c25-23(26)33-21-7-5-20(6-8-21)22-17-34-24(28-9-10-30-11-13-32-14-12-30)31(22)29-16-19-3-1-18(15-27)2-4-19/h1-8,16-17,23H,9-14H2/b28-24-,29-16+.

What are the key properties of 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile?

4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile has a molecular weight of 483.54 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-(2-morpholin-4-ylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile is sourced from PubChem (CID 6903264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).