(2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one

C19H19N3O3S — CID 46237828

IUPAC(2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N\N(C)C)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C19H19N3O3S/c1-21(2)20-19-22(14-7-5-4-6-8-14)18(24)17(26-19)12-13-9-10-15(23)16(11-13)25-3/h4-12,23H,1-3H3/b17-12-,20-19-
InChIKeyMOMQOICCWYRKEU-QTBWCZOLSA-N
MW369.45 g/mol
LogP3.35
Rot. Bonds4

About (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one

(2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 46237828) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID46237828
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N\N(C)C)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C19H19N3O3S/c1-21(2)20-19-22(14-7-5-4-6-8-14)18(24)17(26-19)12-13-9-10-15(23)16(11-13)25-3/h4-12,23H,1-3H3/b17-12-,20-19-
InChIKeyMOMQOICCWYRKEU-QTBWCZOLSA-N
XLogP3.35
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 46237828) is (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N\N(C)C)N(c3ccccc3)C2=O)ccc1O.
What is the InChIKey of (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is MOMQOICCWYRKEU-QTBWCZOLSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-21(2)20-19-22(14-7-5-4-6-8-14)18(24)17(26-19)12-13-9-10-15(23)16(11-13)25-3/h4-12,23H,1-3H3/b17-12-,20-19-.
What are the key properties of (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 369.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-(dimethylhydrazinylidene)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46237828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).