(2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H16FN3O3S — CID 135512676

IUPAC(2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/NC(=O)CS2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-24-16-8-13(9-20-22-18-21-17(23)11-26-18)4-7-15(16)25-10-12-2-5-14(19)6-3-12/h2-9H,10-11H2,1H3,(H,21,22,23)/b20-9+
InChIKeyDFWBNAAUFZFSGY-AWQFTUOYSA-N
MW373.41 g/mol
LogP2.97
Rot. Bonds6

About (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135512676) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135512676
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name(2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/NC(=O)CS2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-24-16-8-13(9-20-22-18-21-17(23)11-26-18)4-7-15(16)25-10-12-2-5-14(19)6-3-12/h2-9H,10-11H2,1H3,(H,21,22,23)/b20-9+
InChIKeyDFWBNAAUFZFSGY-AWQFTUOYSA-N
XLogP2.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135512676) is (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(/C=N/N=C2/NC(=O)CS2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DFWBNAAUFZFSGY-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-24-16-8-13(9-20-22-18-21-17(23)11-26-18)4-7-15(16)25-10-12-2-5-14(19)6-3-12/h2-9H,10-11H2,1H3,(H,21,22,23)/b20-9+.
What are the key properties of (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 373.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135512676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).