(5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one

C22H21N3O4S — CID 126173568

IUPAC(5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N/c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H21N3O4S/c1-24-21(28)19(13-15-4-2-7-18(26)12-15)30-22(24)23-17-6-3-5-16(14-17)20(27)25-8-10-29-11-9-25/h2-7,12-14,26H,8-11H2,1H3/b19-13+,23-22+
InChIKeyIEGLKHAOGIQLFE-PIJRJAKLSA-N
MW423.49 g/mol
LogP3.10
Rot. Bonds3

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

(5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 126173568) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID126173568
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name(5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N/c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H21N3O4S/c1-24-21(28)19(13-15-4-2-7-18(26)12-15)30-22(24)23-17-6-3-5-16(14-17)20(27)25-8-10-29-11-9-25/h2-7,12-14,26H,8-11H2,1H3/b19-13+,23-22+
InChIKeyIEGLKHAOGIQLFE-PIJRJAKLSA-N
XLogP3.10
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[(4-butoxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126173685
(5E)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126165797
(5E)-5-benzylidene-3-methyl-2-[3-(piperidine-1-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 9485519
(5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126172732
(5E)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126177432
(5E)-3-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126176672
(5E)-5-[(5-chloro-2-propoxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126170731
(5E)-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-5-[(3-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126159662
(5E)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-3-ethyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126158223
3-[[(5E)-5-[(3-ethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 126067609
(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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one (CID 126173568) is (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N/c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is IEGLKHAOGIQLFE-PIJRJAKLSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-24-21(28)19(13-15-4-2-7-18(26)12-15)30-22(24)23-17-6-3-5-16(14-17)20(27)25-8-10-29-11-9-25/h2-7,12-14,26H,8-11H2,1H3/b19-13+,23-22+.
What are the key properties of (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one?
(5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 423.49 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-hydroxyphenyl)methylidene]-3-methyl-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126173568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).