(2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

C17H16N4OS — CID 18842834

IUPAC(2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccncc2)S/C1=N/c1cccc(C)n1
InChIInChI=1S/C17H16N4OS/c1-3-21-16(22)14(11-13-7-9-18-10-8-13)23-17(21)20-15-6-4-5-12(2)19-15/h4-11H,3H2,1-2H3/b14-11-,20-17+
InChIKeyDPGGIMFMGFTDQU-AJTXDVGESA-N
MW324.41 g/mol
LogP3.41
Rot. Bonds3

About (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

(2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 18842834) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID18842834
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name(2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccncc2)S/C1=N/c1cccc(C)n1
InChIInChI=1S/C17H16N4OS/c1-3-21-16(22)14(11-13-7-9-18-10-8-13)23-17(21)20-15-6-4-5-12(2)19-15/h4-11H,3H2,1-2H3/b14-11-,20-17+
InChIKeyDPGGIMFMGFTDQU-AJTXDVGESA-N
XLogP3.41
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.41
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,5E)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842792
(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18842853
2-[[(5Z)-3-ethyl-4-oxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27433589
(2E,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841894
(2E,5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842778
(2E,5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842771
(2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841825
(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841902
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18842861
(2E,5Z)-5-[(4-ethoxyphenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18843036
(2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841842
(2E,5Z)-2-[(6-methyl-2-pyridinyl)imino]-5-[(3-nitrophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18842925

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 18842834) is (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2ccncc2)S/C1=N/c1cccc(C)n1.
What is the InChIKey of (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is DPGGIMFMGFTDQU-AJTXDVGESA-N. The full InChI is InChI=1S/C17H16N4OS/c1-3-21-16(22)14(11-13-7-9-18-10-8-13)23-17(21)20-15-6-4-5-12(2)19-15/h4-11H,3H2,1-2H3/b14-11-,20-17+.
What are the key properties of (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).