2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol

C22H19F2N3OS — CID 135589559

About 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol

2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol (PubChem CID 135589559) has the molecular formula C22H19F2N3OS and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol
• PubChem CID: 135589559
• Molecular Formula: C22H19F2N3OS
• Molecular Weight: 411.48 g/mol
• Exact Mass: 411.12
• IUPAC Name: 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol
• SMILES: CC(C)Cn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccc(F)cc1F
• InChI: InChI=1S/C22H19F2N3OS/c1-13(2)12-27-21(28)20(9-14-11-25-18-6-4-3-5-16(14)18)29-22(27)26-19-8-7-15(23)10-17(19)24/h3-11,13,28H,12H2,1-2H3/b14-9+,26-22+
• InChIKey: JFNZFNAENJEGFN-BHYDXTNGSA-N
• XLogP: 5.68
• TPSA: 49.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.48
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol?

The IUPAC name of 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol (CID 135589559) is 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol.

What is the SMILES notation for 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol?

The canonical SMILES for 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol is CC(C)Cn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccc(F)cc1F.

What is the InChIKey of 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol?

The InChIKey is JFNZFNAENJEGFN-BHYDXTNGSA-N. The full InChI is InChI=1S/C22H19F2N3OS/c1-13(2)12-27-21(28)20(9-14-11-25-18-6-4-3-5-16(14)18)29-22(27)26-19-8-7-15(23)10-17(19)24/h3-11,13,28H,12H2,1-2H3/b14-9+,26-22+.

What are the key properties of 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol?

2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol has a molecular weight of 411.48 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylpropyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 135589559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).