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

C23H20N2O2S2 — CID 93180742

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

(2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93180742) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

• Compound Name: (2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• PubChem CID: 93180742
• Molecular Formula: C23H20N2O2S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.10
• IUPAC Name: (2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
• SMILES: Cc1ccccc1CN1C(=O)[C@@]2(SCCN2C(=O)c2cccs2)c2ccccc21
• InChI: InChI=1S/C23H20N2O2S2/c1-16-7-2-3-8-17(16)15-24-19-10-5-4-9-18(19)23(22(24)27)25(12-14-29-23)21(26)20-11-6-13-28-20/h2-11,13H,12,14-15H2,1H3/t23-/m0/s1
• InChIKey: DLWNGCLBZAUMIT-QHCPKHFHSA-N
• XLogP: 4.65
• 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	420.56
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93180742) is (2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

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

The canonical SMILES for (2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is Cc1ccccc1CN1C(=O)[C@@]2(SCCN2C(=O)c2cccs2)c2ccccc21.

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

The InChIKey is DLWNGCLBZAUMIT-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-16-7-2-3-8-17(16)15-24-19-10-5-4-9-18(19)23(22(24)27)25(12-14-29-23)21(26)20-11-6-13-28-20/h2-11,13H,12,14-15H2,1H3/t23-/m0/s1.

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

(2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 420.56 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1'-[(2-methylphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93180742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).