N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

Base Information

• Chemical Name: N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
• CAS No.: 72732-39-9
• Molecular Formula: C17H13N3O4S2
• Molecular Weight: 387.4328
• DSSTox Substance ID: DTXSID601330917
• Nikkaji Number: J66.568A
• ChEMBL ID: CHEMBL1451790
• Mol file: 72732-39-9.mol

Synonyms:72732-39-9;C17H13N3O4S2;C17-H13-N3-O4-S2;MLS000778609;N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide;CHEMBL1451790;BRD5543;REGID_for_CID_1524003;DTXSID601330917;HMS2744M11;BRD-5543;STK809124;AKOS001666054;NCGC00246512-01;SMR000415403;SR-01000110442;SR-01000110442-1;BRD-K89655543-001-04-6;(Z)-N-(5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide;N-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]isonicotinamide;N-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide;N-[5-[(4-Hydroxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-4-pyridinecarboxamide;N-{5-[1-(4-Hydroxy-3-methoxy-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-isonicotinamide

Chemical Property of N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.57g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 387.03474825
• Heavy Atom Count: 26
• Complexity: 607

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MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)O
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)O

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