(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

C24H24F3N5O3S — CID 44621731

About (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide

(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 44621731) has the molecular formula C24H24F3N5O3S and a molecular weight of 519.55 g/mol. Its IUPAC name is (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 44621731
• Molecular Formula: C24H24F3N5O3S
• Molecular Weight: 519.55 g/mol
• Exact Mass: 519.16
• IUPAC Name: (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CCn1c(=O)/c(=C/Nc2ccc3c(ccn3C3CCOCC3)c2)s/c1=C(\C#N)C(=O)NCC(F)(F)F
• InChI: InChI=1S/C24H24F3N5O3S/c1-2-31-22(34)20(36-23(31)18(12-28)21(33)30-14-24(25,26)27)13-29-16-3-4-19-15(11-16)5-8-32(19)17-6-9-35-10-7-17/h3-5,8,11,13,17,29H,2,6-7,9-10,14H2,1H3,(H,30,33)/b20-13-,23-18+
• InChIKey: IKSZYSYZLRIQPG-JNZBFJSESA-N
• XLogP: 2.44
• TPSA: 101.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.55
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide (CID 44621731) is (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)/c(=C/Nc2ccc3c(ccn3C3CCOCC3)c2)s/c1=C(\C#N)C(=O)NCC(F)(F)F.

What is the InChIKey of (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is IKSZYSYZLRIQPG-JNZBFJSESA-N. The full InChI is InChI=1S/C24H24F3N5O3S/c1-2-31-22(34)20(36-23(31)18(12-28)21(33)30-14-24(25,26)27)13-29-16-3-4-19-15(11-16)5-8-32(19)17-6-9-35-10-7-17/h3-5,8,11,13,17,29H,2,6-7,9-10,14H2,1H3,(H,30,33)/b20-13-,23-18+.

What are the key properties of (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide?

(2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 519.55 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-cyano-2-[(5Z)-3-ethyl-5-[[[1-(oxan-4-yl)indol-5-yl]amino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 44621731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).