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

C19H19N3O3S — CID 137050469

IUPAC(5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)S2)cc1
InChIInChI=1S/C19H19N3O3S/c1-13-2-4-14(5-3-13)20-19-21-18(23)16(26-19)12-15-6-7-17(25-15)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23)/b16-12+
InChIKeyKUYUSCPRCZIPKT-FOWTUZBSSA-N
MW369.45 g/mol
LogP3.32
Rot. Bonds3

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

(5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137050469) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137050469
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)S2)cc1
InChIInChI=1S/C19H19N3O3S/c1-13-2-4-14(5-3-13)20-19-21-18(23)16(26-19)12-15-6-7-17(25-15)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23)/b16-12+
InChIKeyKUYUSCPRCZIPKT-FOWTUZBSSA-N
XLogP3.32
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(2-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137023043
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135494776
2-(3,4-dimethylphenyl)imino-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135510489
(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136727980
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135487160
(5E)-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484970
(5E)-5-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137050671
(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137034735
2-(4-methoxyphenyl)imino-3-methyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 4664067
2-methyl-3-[5-[(E)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 137050945
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135841214
(5E)-2-(4-butylphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135404496

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 137050469) is (5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)S2)cc1.
What is the InChIKey of (5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is KUYUSCPRCZIPKT-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-2-4-14(5-3-13)20-19-21-18(23)16(26-19)12-15-6-7-17(25-15)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23)/b16-12+.
What are the key properties of (5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 369.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137050469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).