(5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one

C26H28N4O2S — CID 5289944

IUPAC(5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)S/C1=N\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H28N4O2S/c1-3-29-22-8-6-5-7-19(22)9-14-23(29)24-25(31)30(4-2)26(33-24)27-20-10-12-21(13-11-20)28-15-17-32-18-16-28/h5-14H,3-4,15-18H2,1-2H3/b24-23+,27-26-
InChIKeyDZLDKAIJFRXDSX-DCKMZSEDSA-N
MW460.60 g/mol
LogP4.87
Rot. Bonds4

About (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one

(5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 5289944) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID5289944
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name(5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)S/C1=N\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H28N4O2S/c1-3-29-22-8-6-5-7-19(22)9-14-23(29)24-25(31)30(4-2)26(33-24)27-20-10-12-21(13-11-20)28-15-17-32-18-16-28/h5-14H,3-4,15-18H2,1-2H3/b24-23+,27-26-
InChIKeyDZLDKAIJFRXDSX-DCKMZSEDSA-N
XLogP4.87
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_J(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,5Z)-3-ethyl-2-(1-methylpyridin-1-ium-2-yl)imino-5-(1-methylquinolin-2-ylidene)-1,3-thiazolidin-4-one
CID 11847498
(5Z)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 126105180
5-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 4617730
(5Z)-3-ethyl-5-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 50856256
(5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126243731
N-[3-[(Z)-[3-ethyl-2-(4-morpholin-4-ylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 126214110
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
CID 3094700
(5E)-3-ethyl-2-phenylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8555221
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 126111607
(2Z,5Z)-2-[(6-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-3-ethyl-5-(1-methylquinolin-2-ylidene)-1,3-thiazolidin-4-one chloride
CID 135407781
(5Z)-3-ethyl-2-(4-morpholin-4-ylphenyl)imino-5-[[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]-1,3-thiazolidin-4-one
CID 99885957
(5E)-3-[(4-methoxyphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6375600

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one (CID 5289944) is (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)S/C1=N\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is DZLDKAIJFRXDSX-DCKMZSEDSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-3-29-22-8-6-5-7-19(22)9-14-23(29)24-25(31)30(4-2)26(33-24)27-20-10-12-21(13-11-20)28-15-17-32-18-16-28/h5-14H,3-4,15-18H2,1-2H3/b24-23+,27-26-.
What are the key properties of (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 460.60 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-(1-ethylquinolin-2-ylidene)-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 5289944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).