(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C18H16N2O2S — CID 7830115

IUPAC(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccc(C)cc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-11-3-6-13(7-4-11)20-16(21)10-23-18(20)14-9-12(2)5-8-15(14)19-17(18)22/h3-9H,10H2,1-2H3,(H,19,22)/t18-/m0/s1
InChIKeyQVGMCDLRKDXWBB-SFHVURJKSA-N
MW324.41 g/mol
LogP3.19
Rot. Bonds1

About (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 7830115) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID7830115
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccc(C)cc23)cc1
InChIInChI=1S/C18H16N2O2S/c1-11-3-6-13(7-4-11)20-16(21)10-23-18(20)14-9-12(2)5-8-15(14)19-17(18)22/h3-9H,10H2,1-2H3,(H,19,22)/t18-/m0/s1
InChIKeyQVGMCDLRKDXWBB-SFHVURJKSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 7830115) is (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is Cc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccc(C)cc23)cc1.
What is the InChIKey of (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is QVGMCDLRKDXWBB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-11-3-6-13(7-4-11)20-16(21)10-23-18(20)14-9-12(2)5-8-15(14)19-17(18)22/h3-9H,10H2,1-2H3,(H,19,22)/t18-/m0/s1.
What are the key properties of (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 324.41 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 7830115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).