(5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

C19H16N2OS — CID 20836365

IUPAC(5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C19H16N2OS/c1-21-18(22)17(14-8-11-15-9-4-2-5-10-15)23-19(21)20-16-12-6-3-7-13-16/h2-14H,1H3/b11-8+,17-14+,20-19-
InChIKeyWCDVXXNNUYFUJR-DNRHBMTQSA-N
MW320.42 g/mol
LogP4.48
Rot. Bonds3

About (5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

(5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 20836365) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is (5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID20836365
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name(5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C19H16N2OS/c1-21-18(22)17(14-8-11-15-9-4-2-5-10-15)23-19(21)20-16-12-6-3-7-13-16/h2-14H,1H3/b11-8+,17-14+,20-19-
InChIKeyWCDVXXNNUYFUJR-DNRHBMTQSA-N
XLogP4.48
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
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)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 20836365) is (5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1.
What is the InChIKey of (5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is WCDVXXNNUYFUJR-DNRHBMTQSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-21-18(22)17(14-8-11-15-9-4-2-5-10-15)23-19(21)20-16-12-6-3-7-13-16/h2-14H,1H3/b11-8+,17-14+,20-19-.
What are the key properties of (5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 320.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 20836365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).