(2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C22H20F3N3O3S — CID 100816737

About (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 100816737) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

• Compound Name: (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
• PubChem CID: 100816737
• Molecular Formula: C22H20F3N3O3S
• Molecular Weight: 463.48 g/mol
• Exact Mass: 463.12
• IUPAC Name: (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
• SMILES: O=C1CS[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C22H20F3N3O3S/c23-22(24,25)15-4-3-5-16(12-15)28-19(29)13-32-21(28)17-6-1-2-7-18(17)27(20(21)30)14-26-8-10-31-11-9-26/h1-7,12H,8-11,13-14H2/t21-/m0/s1
• InChIKey: HTQOIQSZVXXUOG-NRFANRHFSA-N
• XLogP: 3.27
• TPSA: 53.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.48
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The IUPAC name of (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 100816737) is (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

What is the SMILES notation for (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The canonical SMILES for (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1cccc(C(F)(F)F)c1.

What is the InChIKey of (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

The InChIKey is HTQOIQSZVXXUOG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c23-22(24,25)15-4-3-5-16(12-15)28-19(29)13-32-21(28)17-6-1-2-7-18(17)27(20(21)30)14-26-8-10-31-11-9-26/h1-7,12H,8-11,13-14H2/t21-/m0/s1.

What are the key properties of (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?

(2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 463.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 100816737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).