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

C23H18N2OS2 — CID 5287092

IUPAC(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCSc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H18N2OS2/c1-27-20-14-12-17(13-15-20)16-21-22(26)25(19-10-6-3-7-11-19)23(28-21)24-18-8-4-2-5-9-18/h2-16H,1H3/b21-16-,24-23-
InChIKeyFJIVHKZWORNFLC-BLOQEJBCSA-N
MW402.54 g/mol
LogP6.22
Rot. Bonds4

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

(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 5287092) has the molecular formula C23H18N2OS2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID5287092
Molecular FormulaC23H18N2OS2
Molecular Weight402.54 g/mol
Exact Mass402.09
IUPAC Name(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCSc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H18N2OS2/c1-27-20-14-12-17(13-15-20)16-21-22(26)25(19-10-6-3-7-11-19)23(28-21)24-18-8-4-2-5-9-18/h2-16H,1H3/b21-16-,24-23-
InChIKeyFJIVHKZWORNFLC-BLOQEJBCSA-N
XLogP6.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 5287092) is (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is CSc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is FJIVHKZWORNFLC-BLOQEJBCSA-N. The full InChI is InChI=1S/C23H18N2OS2/c1-27-20-14-12-17(13-15-20)16-21-22(26)25(19-10-6-3-7-11-19)23(28-21)24-18-8-4-2-5-9-18/h2-16H,1H3/b21-16-,24-23-.
What are the key properties of (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 402.54 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 5287092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).