(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C22H17N3O2S — CID 18842032

IUPAC(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C22H17N3O2S/c1-27-18-11-7-8-16(14-18)15-19-21(26)25(17-9-3-2-4-10-17)22(28-19)24-20-12-5-6-13-23-20/h2-15H,1H3/b19-15-,24-22+
InChIKeyMWOWDCAJHFIEFP-HVYSLKEZSA-N
MW387.46 g/mol
LogP4.90
Rot. Bonds4

About (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842032) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18842032
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C22H17N3O2S/c1-27-18-11-7-8-16(14-18)15-19-21(26)25(17-9-3-2-4-10-17)22(28-19)24-20-12-5-6-13-23-20/h2-15H,1H3/b19-15-,24-22+
InChIKeyMWOWDCAJHFIEFP-HVYSLKEZSA-N
XLogP4.90
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842037
(2E,5Z)-3-phenyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842113
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
(2E,5E)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842073
(2E,5Z)-5-[(4-ethoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18843036
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18843990
(2E,5Z)-2-[(6-methyl-2-pyridinyl)imino]-5-[(3-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18843028
(2E,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841730
(2E,5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844498
3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1360445
(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841781
(5E)-5-[[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278045

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18842032) is (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is COc1cccc(/C=C2\S/C(=N/c3ccccn3)N(c3ccccc3)C2=O)c1.
What is the InChIKey of (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is MWOWDCAJHFIEFP-HVYSLKEZSA-N. The full InChI is InChI=1S/C22H17N3O2S/c1-27-18-11-7-8-16(14-18)15-19-21(26)25(17-9-3-2-4-10-17)22(28-19)24-20-12-5-6-13-23-20/h2-15H,1H3/b19-15-,24-22+.
What are the key properties of (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 387.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(3-methoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).