(2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

C20H20N4OS — CID 18842525

IUPAC(2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccncc2)S/C(=N/c2ccccn2)N1C1CCCCC1
InChIInChI=1S/C20H20N4OS/c25-19-17(14-15-9-12-21-13-10-15)26-20(23-18-8-4-5-11-22-18)24(19)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2/b17-14-,23-20+
InChIKeyFQTJDYZLNJTOJC-RXMZMWHVSA-N
MW364.47 g/mol
LogP4.41
Rot. Bonds3

About (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

(2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 18842525) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID18842525
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name(2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccncc2)S/C(=N/c2ccccn2)N1C1CCCCC1
InChIInChI=1S/C20H20N4OS/c25-19-17(14-15-9-12-21-13-10-15)26-20(23-18-8-4-5-11-22-18)24(19)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2/b17-14-,23-20+
InChIKeyFQTJDYZLNJTOJC-RXMZMWHVSA-N
XLogP4.41
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.41
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)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842436
(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842501
(5Z)-3-cyclohexyl-2-pyridin-3-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842628
(2E,5Z)-3-phenyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842113
(2E,5Z)-5-benzylidene-3-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845093
(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842544
(2E,5Z)-5-[(3-chlorophenyl)methylidene]-3-cyclohexyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18843111
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843653
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 18843644
(5Z)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6253250
(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290095
methyl 4-[(Z)-[(2E)-3-cyclohexyl-2-[(6-methyl-2-pyridinyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 18843106

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 18842525) is (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccncc2)S/C(=N/c2ccccn2)N1C1CCCCC1.
What is the InChIKey of (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is FQTJDYZLNJTOJC-RXMZMWHVSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-19-17(14-15-9-12-21-13-10-15)26-20(23-18-8-4-5-11-22-18)24(19)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2/b17-14-,23-20+.
What are the key properties of (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 364.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).