(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C23H25N3O4S — CID 18842501

IUPAC(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccccn3)N(C3CCCCC3)C2=O)cc(OC)c1O
InChIInChI=1S/C23H25N3O4S/c1-29-17-12-15(13-18(30-2)21(17)27)14-19-22(28)26(16-8-4-3-5-9-16)23(31-19)25-20-10-6-7-11-24-20/h6-7,10-14,16,27H,3-5,8-9H2,1-2H3/b19-14-,25-23+
InChIKeyKGGYNYLLSVSPDX-TVGGXGMTSA-N
MW439.54 g/mol
LogP4.74
Rot. Bonds5

About (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842501) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18842501
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3ccccn3)N(C3CCCCC3)C2=O)cc(OC)c1O
InChIInChI=1S/C23H25N3O4S/c1-29-17-12-15(13-18(30-2)21(17)27)14-19-22(28)26(16-8-4-3-5-9-16)23(31-19)25-20-10-6-7-11-24-20/h6-7,10-14,16,27H,3-5,8-9H2,1-2H3/b19-14-,25-23+
InChIKeyKGGYNYLLSVSPDX-TVGGXGMTSA-N
XLogP4.74
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841781
(2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842525
(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845674
(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842436
(5Z)-3-cyclohexyl-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 96883789
(2E,5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18843061
3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4596884
2-[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 2720922
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843583
2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide
CID 56697499
(2E,5Z)-3-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18843066
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842037

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18842501) is (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N/c3ccccn3)N(C3CCCCC3)C2=O)cc(OC)c1O.
What is the InChIKey of (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is KGGYNYLLSVSPDX-TVGGXGMTSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-29-17-12-15(13-18(30-2)21(17)27)14-19-22(28)26(16-8-4-3-5-9-16)23(31-19)25-20-10-6-7-11-24-20/h6-7,10-14,16,27H,3-5,8-9H2,1-2H3/b19-14-,25-23+.
What are the key properties of (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 439.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).