(5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one

C25H27N3O4S — CID 126177508

IUPAC(5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C25H27N3O4S/c1-4-28-24(30)22(16-18-8-9-21(31-3)14-17(18)2)33-25(28)26-20-7-5-6-19(15-20)23(29)27-10-12-32-13-11-27/h5-9,14-16H,4,10-13H2,1-3H3/b22-16+,26-25-
InChIKeyYVLSJZZAWLSCHA-HNEFAFEWSA-N
MW465.58 g/mol
LogP4.10
Rot. Bonds5

About (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one

(5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 126177508) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID126177508
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name(5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C25H27N3O4S/c1-4-28-24(30)22(16-18-8-9-21(31-3)14-17(18)2)33-25(28)26-20-7-5-6-19(15-20)23(29)27-10-12-32-13-11-27/h5-9,14-16H,4,10-13H2,1-3H3/b22-16+,26-25-
InChIKeyYVLSJZZAWLSCHA-HNEFAFEWSA-N
XLogP4.10
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(5E)-5-[(2-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126166781
(5E)-5-[(2-chlorophenyl)methylidene]-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126179829
(5E)-3-ethyl-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126163346
(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126175384
(5E)-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-5-[(3-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126159662
(5E)-5-[(5-chloro-2-propoxyphenyl)methylidene]-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126165191
(5E)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126182150
(5E)-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126167414
(5E)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126158223
(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126161351
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126237948
methyl 3-[[3-ethyl-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 4000091

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one (CID 126177508) is (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is YVLSJZZAWLSCHA-HNEFAFEWSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-28-24(30)22(16-18-8-9-21(31-3)14-17(18)2)33-25(28)26-20-7-5-6-19(15-20)23(29)27-10-12-32-13-11-27/h5-9,14-16H,4,10-13H2,1-3H3/b22-16+,26-25-.
What are the key properties of (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one?
(5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 465.58 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126177508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).