(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione

C20H20N2O2S — CID 18839916

IUPAC(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c(C)c1
InChIInChI=1S/C20H20N2O2S/c1-13-5-10-17(14(2)11-13)22-19(23)18(25-20(22)24)12-15-6-8-16(9-7-15)21(3)4/h5-12H,1-4H3/b18-12-
InChIKeyZNXYWHYZTRULPC-PDGQHHTCSA-N
MW352.46 g/mol
LogP4.61
Rot. Bonds3

About (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18839916) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18839916
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c(C)c1
InChIInChI=1S/C20H20N2O2S/c1-13-5-10-17(14(2)11-13)22-19(23)18(25-20(22)24)12-15-6-8-16(9-7-15)21(3)4/h5-12H,1-4H3/b18-12-
InChIKeyZNXYWHYZTRULPC-PDGQHHTCSA-N
XLogP4.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione (CID 18839916) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c(C)c1.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is ZNXYWHYZTRULPC-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-5-10-17(14(2)11-13)22-19(23)18(25-20(22)24)12-15-6-8-16(9-7-15)21(3)4/h5-12H,1-4H3/b18-12-.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 352.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18839916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).