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

C21H21N3O2S — CID 126107086

IUPAC(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)S/C1=N/c1ccccc1
InChIInChI=1S/C21H21N3O2S/c1-23-20(25)19(27-21(23)22-17-5-3-2-4-6-17)15-16-7-9-18(10-8-16)24-11-13-26-14-12-24/h2-10,15H,11-14H2,1H3/b19-15-,22-21+
InChIKeyWPVOIRMLCJTUBP-LRXSNBMBSA-N
MW379.49 g/mol
LogP3.76
Rot. Bonds3

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

(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 126107086) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID126107086
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)S/C1=N/c1ccccc1
InChIInChI=1S/C21H21N3O2S/c1-23-20(25)19(27-21(23)22-17-5-3-2-4-6-17)15-16-7-9-18(10-8-16)24-11-13-26-14-12-24/h2-10,15H,11-14H2,1H3/b19-15-,22-21+
InChIKeyWPVOIRMLCJTUBP-LRXSNBMBSA-N
XLogP3.76
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
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

3-methyl-2-(4-morpholin-4-ylphenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3769363
(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484970
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-methyl-2-(4-morpholin-4-ylphenyl)imino-1,3-thiazolidin-4-one
CID 21374337
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135841214
(5E)-3-[(4-methoxyphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6375600
5-[(4-morpholin-4-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 5126466
(5E)-3-ethyl-2-phenylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8555221
(5Z)-3-methyl-2-(4-morpholin-4-ylphenyl)imino-5-[(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 132682775
(5E)-3-methyl-5-[(5-methyl-1-phenylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50857329
5-[[2-methoxy-4-[(Z)-[3-methyl-2-(4-morpholin-4-ylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 126391637
(5E)-2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485896
3-methyl-2-phenylimino-5-[(3-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 123424373

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 126107086) is (5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)S/C1=N/c1ccccc1.
What is the InChIKey of (5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is WPVOIRMLCJTUBP-LRXSNBMBSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-23-20(25)19(27-21(23)22-17-5-3-2-4-6-17)15-16-7-9-18(10-8-16)24-11-13-26-14-12-24/h2-10,15H,11-14H2,1H3/b19-15-,22-21+.
What are the key properties of (5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 379.49 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126107086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).