(5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one

C22H23N3O3S — CID 24846761

IUPAC(5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CN3CCOCC3)C2=O)cc1
InChIInChI=1S/C22H23N3O3S/c1-27-19-9-7-17(8-10-19)15-20-21(26)25(16-24-11-13-28-14-12-24)22(29-20)23-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+,23-22-
InChIKeyAWMPAPMHMOVVSK-OCIPIQTLSA-N
MW409.51 g/mol
LogP3.59
Rot. Bonds5

About (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 24846761) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID24846761
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name(5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CN3CCOCC3)C2=O)cc1
InChIInChI=1S/C22H23N3O3S/c1-27-19-9-7-17(8-10-19)15-20-21(26)25(16-24-11-13-28-14-12-24)22(29-20)23-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+,23-22-
InChIKeyAWMPAPMHMOVVSK-OCIPIQTLSA-N
XLogP3.59
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.59
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)-3-[(4-methoxyphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6375600
(5E)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484688
(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 2367574
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126236270
(5E)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one
CID 6991386
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126107086
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1368759
(5E)-3-ethyl-2-phenylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8555221
5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 4570133
5-[(4-morpholin-4-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 5126466
(5Z)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 126015539

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 24846761) is (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CN3CCOCC3)C2=O)cc1.
What is the InChIKey of (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is AWMPAPMHMOVVSK-OCIPIQTLSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-27-19-9-7-17(8-10-19)15-20-21(26)25(16-24-11-13-28-14-12-24)22(29-20)23-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+,23-22-.
What are the key properties of (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 409.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 24846761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).