2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one

C18H14ClF2N3OS2 — CID 135486288

IUPAC2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccc(Cl)cc2)SC1Cc1ccc(SC(F)F)cc1
InChIInChI=1S/C18H14ClF2N3OS2/c19-13-5-1-12(2-6-13)10-22-24-18-23-16(25)15(27-18)9-11-3-7-14(8-4-11)26-17(20)21/h1-8,10,15,17H,9H2,(H,23,24,25)
InChIKeyFPPYOTMLMPYRQM-UHFFFAOYSA-N
MW425.91 g/mol
LogP4.82
Rot. Bonds6

About 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one

2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135486288) has the molecular formula C18H14ClF2N3OS2 and a molecular weight of 425.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135486288
Molecular FormulaC18H14ClF2N3OS2
Molecular Weight425.91 g/mol
Exact Mass425.02
IUPAC Name2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccc(Cl)cc2)SC1Cc1ccc(SC(F)F)cc1
InChIInChI=1S/C18H14ClF2N3OS2/c19-13-5-1-12(2-6-13)10-22-24-18-23-16(25)15(27-18)9-11-3-7-14(8-4-11)26-17(20)21/h1-8,10,15,17H,9H2,(H,23,24,25)
InChIKeyFPPYOTMLMPYRQM-UHFFFAOYSA-N
XLogP4.82
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135486288) is 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccc(Cl)cc2)SC1Cc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is FPPYOTMLMPYRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3OS2/c19-13-5-1-12(2-6-13)10-22-24-18-23-16(25)15(27-18)9-11-3-7-14(8-4-11)26-17(20)21/h1-8,10,15,17H,9H2,(H,23,24,25).
What are the key properties of 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 425.91 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135486288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).