(5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione

C17H16N2O2S — CID 7319989

IUPAC(5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N(C)[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-8-10-13(11-9-12)18(2)16-15(20)19(17(21)22-16)14-6-4-3-5-7-14/h3-11,16H,1-2H3/t16-/m0/s1
InChIKeyRDOFVUZJSMGNOA-INIZCTEOSA-N
MW312.39 g/mol
LogP3.66
Rot. Bonds3

About (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione

(5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 7319989) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID7319989
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name(5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N(C)[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-8-10-13(11-9-12)18(2)16-15(20)19(17(21)22-16)14-6-4-3-5-7-14/h3-11,16H,1-2H3/t16-/m0/s1
InChIKeyRDOFVUZJSMGNOA-INIZCTEOSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (CID 7319989) is (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is Cc1ccc(N(C)[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is RDOFVUZJSMGNOA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-8-10-13(11-9-12)18(2)16-15(20)19(17(21)22-16)14-6-4-3-5-7-14/h3-11,16H,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
(5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 312.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(N,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 7319989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).