(5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione

C13H12N2O4S — CID 139093137

IUPAC(5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S[C@@H]([C@]2(O)C(=O)N(C)c3ccccc32)C1=O
InChIInChI=1S/C13H12N2O4S/c1-14-8-6-4-3-5-7(8)13(19,11(14)17)9-10(16)15(2)12(18)20-9/h3-6,9,19H,1-2H3/t9-,13+/m1/s1
InChIKeyGPSQUVFGDDQCKS-RNCFNFMXSA-N
MW292.32 g/mol
LogP0.54
Rot. Bonds1

About (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione

(5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 139093137) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID139093137
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name(5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S[C@@H]([C@]2(O)C(=O)N(C)c3ccccc32)C1=O
InChIInChI=1S/C13H12N2O4S/c1-14-8-6-4-3-5-7(8)13(19,11(14)17)9-10(16)15(2)12(18)20-9/h3-6,9,19H,1-2H3/t9-,13+/m1/s1
InChIKeyGPSQUVFGDDQCKS-RNCFNFMXSA-N
XLogP0.54
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione (CID 139093137) is (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)S[C@@H]([C@]2(O)C(=O)N(C)c3ccccc32)C1=O.
What is the InChIKey of (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is GPSQUVFGDDQCKS-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-14-8-6-4-3-5-7(8)13(19,11(14)17)9-10(16)15(2)12(18)20-9/h3-6,9,19H,1-2H3/t9-,13+/m1/s1.
What are the key properties of (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione?
(5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 292.32 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 139093137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).