5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C18H17N3OS — CID 135498174

IUPAC5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C=C2S/C(=N/c3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H17N3OS/c1-21(2)15-10-8-13(9-11-15)12-16-17(22)20-18(23-16)19-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,22)
InChIKeyJTIAWAZILYASGB-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.64
Rot. Bonds3

About 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135498174) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135498174
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C=C2S/C(=N/c3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H17N3OS/c1-21(2)15-10-8-13(9-11-15)12-16-17(22)20-18(23-16)19-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,22)
InChIKeyJTIAWAZILYASGB-UHFFFAOYSA-N
XLogP3.64
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135498174) is 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CN(C)c1ccc(C=C2S/C(=N/c3ccccc3)NC2=O)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is JTIAWAZILYASGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-21(2)15-10-8-13(9-11-15)12-16-17(22)20-18(23-16)19-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,22).
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 323.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135498174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).