(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C17H13ClFN3OS — CID 135473251

IUPAC(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccc(Cl)cc2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3OS/c18-13-5-1-12(2-6-13)10-20-22-17-21-16(23)15(24-17)9-11-3-7-14(19)8-4-11/h1-8,10,15H,9H2,(H,21,22,23)/b20-10+
InChIKeyHALVPNNTMBSUAZ-KEBDBYFISA-N
MW361.83 g/mol
LogP3.64
Rot. Bonds4

About (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135473251) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135473251
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC Name(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccc(Cl)cc2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3OS/c18-13-5-1-12(2-6-13)10-20-22-17-21-16(23)15(24-17)9-11-3-7-14(19)8-4-11/h1-8,10,15H,9H2,(H,21,22,23)/b20-10+
InChIKeyHALVPNNTMBSUAZ-KEBDBYFISA-N
XLogP3.64
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135473251) is (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C/c2ccc(Cl)cc2)SC1Cc1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is HALVPNNTMBSUAZ-KEBDBYFISA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c18-13-5-1-12(2-6-13)10-20-22-17-21-16(23)15(24-17)9-11-3-7-14(19)8-4-11/h1-8,10,15H,9H2,(H,21,22,23)/b20-10+.
What are the key properties of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 361.83 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).