(5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C19H18N2OS — CID 135536290

IUPAC(5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1
InChIInChI=1S/C19H18N2OS/c1-13(2)15-10-8-14(9-11-15)12-17-18(22)21-19(23-17)20-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21,22)/b17-12+
InChIKeyZJIHWGNQSCSUFJ-SFQUDFHCSA-N
MW322.43 g/mol
LogP4.70
Rot. Bonds3

About (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135536290) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135536290
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name(5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1
InChIInChI=1S/C19H18N2OS/c1-13(2)15-10-8-14(9-11-15)12-17-18(22)21-19(23-17)20-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21,22)/b17-12+
InChIKeyZJIHWGNQSCSUFJ-SFQUDFHCSA-N
XLogP4.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135536290) is (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1.
What is the InChIKey of (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZJIHWGNQSCSUFJ-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13(2)15-10-8-14(9-11-15)12-17-18(22)21-19(23-17)20-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21,22)/b17-12+.
What are the key properties of (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 322.43 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-phenylimino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135536290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).