(2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C25H23FN2O2S2 — CID 93181072

About (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93181072) has the molecular formula C25H23FN2O2S2 and a molecular weight of 466.60 g/mol. Its IUPAC name is (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

• Compound Name: (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• PubChem CID: 93181072
• Molecular Formula: C25H23FN2O2S2
• Molecular Weight: 466.60 g/mol
• Exact Mass: 466.12
• IUPAC Name: (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• SMILES: Cc1ccc2c(c1)[C@]1(SC(C)(C)CN1C(=O)c1cccs1)C(=O)N2Cc1ccc(F)cc1
• InChI: InChI=1S/C25H23FN2O2S2/c1-16-6-11-20-19(13-16)25(23(30)27(20)14-17-7-9-18(26)10-8-17)28(15-24(2,3)32-25)22(29)21-5-4-12-31-21/h4-13H,14-15H2,1-3H3/t25-/m0/s1
• InChIKey: NPFVFTLRWMAGLR-VWLOTQADSA-N
• XLogP: 5.56
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.60
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The IUPAC name of (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93181072) is (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

What is the SMILES notation for (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The canonical SMILES for (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is Cc1ccc2c(c1)[C@]1(SC(C)(C)CN1C(=O)c1cccs1)C(=O)N2Cc1ccc(F)cc1.

What is the InChIKey of (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

The InChIKey is NPFVFTLRWMAGLR-VWLOTQADSA-N. The full InChI is InChI=1S/C25H23FN2O2S2/c1-16-6-11-20-19(13-16)25(23(30)27(20)14-17-7-9-18(26)10-8-17)28(15-24(2,3)32-25)22(29)21-5-4-12-31-21/h4-13H,14-15H2,1-3H3/t25-/m0/s1.

What are the key properties of (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?

(2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 466.60 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93181072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).