(2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C22H17FN2O2S2 — CID 93186126

About (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93186126) has the molecular formula C22H17FN2O2S2 and a molecular weight of 424.52 g/mol. Its IUPAC name is (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

• Compound Name: (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• PubChem CID: 93186126
• Molecular Formula: C22H17FN2O2S2
• Molecular Weight: 424.52 g/mol
• Exact Mass: 424.07
• IUPAC Name: (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• SMILES: O=C(c1cccs1)N1CCS[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12
• InChI: InChI=1S/C22H17FN2O2S2/c23-16-6-3-5-15(13-16)14-24-18-8-2-1-7-17(18)22(21(24)27)25(10-12-29-22)20(26)19-9-4-11-28-19/h1-9,11,13H,10,12,14H2/t22-/m0/s1
• InChIKey: NYGQWJHOSRYOOR-QFIPXVFZSA-N
• XLogP: 4.48
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.52
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The IUPAC name of (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93186126) is (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

What is the SMILES notation for (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The canonical SMILES for (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is O=C(c1cccs1)N1CCS[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12.

What is the InChIKey of (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The InChIKey is NYGQWJHOSRYOOR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17FN2O2S2/c23-16-6-3-5-15(13-16)14-24-18-8-2-1-7-17(18)22(21(24)27)25(10-12-29-22)20(26)19-9-4-11-28-19/h1-9,11,13H,10,12,14H2/t22-/m0/s1.

What are the key properties of (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

(2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 424.52 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93186126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).