(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C19H19N3O3S — CID 9484970

IUPAC(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)S/C1=N\c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-21-18(23)16(26-19(21)20-14-5-3-2-4-6-14)13-15-7-8-17(25-15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3/b16-13+,20-19-
InChIKeyZLTVEMOKWKBIEZ-XWLVTCQQSA-N
MW369.45 g/mol
LogP3.35
Rot. Bonds3

About (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 9484970) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID9484970
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)S/C1=N\c1ccccc1
InChIInChI=1S/C19H19N3O3S/c1-21-18(23)16(26-19(21)20-14-5-3-2-4-6-14)13-15-7-8-17(25-15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3/b16-13+,20-19-
InChIKeyZLTVEMOKWKBIEZ-XWLVTCQQSA-N
XLogP3.35
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.35
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

2-(4-methoxyphenyl)imino-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 4664067
(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126107086
(5E)-2-(2-ethylphenyl)imino-3-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 8990688
(5Z)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 126015539
(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 88888408
(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-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 88888210
(5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137050469
(5Z)-2-(2-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137023043
(5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126154946
3-methyl-2-(4-morpholin-4-ylphenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3769363
2-(4-methoxyphenyl)imino-3-methyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 73385393

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 9484970) is (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)S/C1=N\c1ccccc1.
What is the InChIKey of (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is ZLTVEMOKWKBIEZ-XWLVTCQQSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-21-18(23)16(26-19(21)20-14-5-3-2-4-6-14)13-15-7-8-17(25-15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3/b16-13+,20-19-.
What are the key properties of (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 369.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 9484970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).