(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

C21H23N3OS — CID 136961390

IUPAC(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc1
InChIInChI=1S/C21H23N3OS/c1-4-24(5-2)17-12-10-16(11-13-17)14-19-20(25)23-21(26-19)22-18-9-7-6-8-15(18)3/h6-14H,4-5H2,1-3H3,(H,22,23,25)/b19-14+
InChIKeyHROBTROXBDGKCV-XMHGGMMESA-N
MW365.50 g/mol
LogP4.73
Rot. Bonds5

About (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 136961390) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID136961390
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc1
InChIInChI=1S/C21H23N3OS/c1-4-24(5-2)17-12-10-16(11-13-17)14-19-20(25)23-21(26-19)22-18-9-7-6-8-15(18)3/h6-14H,4-5H2,1-3H3,(H,22,23,25)/b19-14+
InChIKeyHROBTROXBDGKCV-XMHGGMMESA-N
XLogP4.73
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 136961390) is (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is CCN(CC)c1ccc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc1.
What is the InChIKey of (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is HROBTROXBDGKCV-XMHGGMMESA-N. The full InChI is InChI=1S/C21H23N3OS/c1-4-24(5-2)17-12-10-16(11-13-17)14-19-20(25)23-21(26-19)22-18-9-7-6-8-15(18)3/h6-14H,4-5H2,1-3H3,(H,22,23,25)/b19-14+.
What are the key properties of (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 365.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136961390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).