(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C20H19N3O2S — CID 135841214

IUPAC(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H19N3O2S/c24-19-18(26-20(22-19)21-16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23-10-12-25-13-11-23/h1-9,14H,10-13H2,(H,21,22,24)/b18-14-
InChIKeyYPAQHQRFTJBXER-JXAWBTAJSA-N
MW365.46 g/mol
LogP3.41
Rot. Bonds3

About (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135841214) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135841214
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H19N3O2S/c24-19-18(26-20(22-19)21-16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23-10-12-25-13-11-23/h1-9,14H,10-13H2,(H,21,22,24)/b18-14-
InChIKeyYPAQHQRFTJBXER-JXAWBTAJSA-N
XLogP3.41
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-(4-phenoxyphenyl)imino-1,3-thiazolidin-4-one
CID 136961387
(5Z)-2-phenylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135921879
(5Z)-2-(3-chlorophenyl)imino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137085874
(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126107086
(5E)-2-(4-chlorophenyl)imino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135642697
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135452040
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
(5Z)-2-(3-chlorophenyl)imino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137079997
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
CID 135521092
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135827851
4-chloro-N-[(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137131074
5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135420449

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135841214) is (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is YPAQHQRFTJBXER-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19-18(26-20(22-19)21-16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23-10-12-25-13-11-23/h1-9,14H,10-13H2,(H,21,22,24)/b18-14-.
What are the key properties of (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 365.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135841214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).