4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide

C19H17N3O3S — CID 135621814

IUPAC4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C2\NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1
InChIInChI=1S/C19H17N3O3S/c1-12-3-5-13(6-4-12)11-16-18(24)20-19(26-16)22-21-17(23)14-7-9-15(25-2)10-8-14/h3-11H,1-2H3,(H,21,23)(H,20,22,24)/b16-11-
InChIKeyXOYWOVXZHAVSJK-WJDWOHSUSA-N
MW367.43 g/mol
LogP2.91
Rot. Bonds4

About 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide

4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide (PubChem CID 135621814) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
PubChem CID135621814
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C2\NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1
InChIInChI=1S/C19H17N3O3S/c1-12-3-5-13(6-4-12)11-16-18(24)20-19(26-16)22-21-17(23)14-7-9-15(25-2)10-8-14/h3-11H,1-2H3,(H,21,23)(H,20,22,24)/b16-11-
InChIKeyXOYWOVXZHAVSJK-WJDWOHSUSA-N
XLogP2.91
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766175
(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505964
(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137119004
N-[(E)-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 135445084
4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766142
2-(4-hydroxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135447185
[4-[(Z)-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-bromobenzoate
CID 137044423
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
2-(2-fluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486755
4-[[2-(2,4-dimethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135483130
(5E)-2-(4-chlorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782250

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide (CID 135621814) is 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide is COc1ccc(C(=O)N/N=C2\NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The InChIKey is XOYWOVXZHAVSJK-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-3-5-13(6-4-12)11-16-18(24)20-19(26-16)22-21-17(23)14-7-9-15(25-2)10-8-14/h3-11H,1-2H3,(H,21,23)(H,20,22,24)/b16-11-.
What are the key properties of 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide has a molecular weight of 367.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide is sourced from PubChem (CID 135621814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).