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

C18H14ClF2N3OS2 — CID 135643806

IUPAC(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccc(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)/b22-10+
InChIKeyFPPYOTMLMPYRQM-LSHDLFTRSA-N
MW425.91 g/mol
LogP4.82
Rot. Bonds6

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

(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135643806) has the molecular formula C18H14ClF2N3OS2 and a molecular weight of 425.91 g/mol. Its IUPAC name is (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135643806
Molecular FormulaC18H14ClF2N3OS2
Molecular Weight425.91 g/mol
Exact Mass425.02
IUPAC Name(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccc(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)/b22-10+
InChIKeyFPPYOTMLMPYRQM-LSHDLFTRSA-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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Related Compounds

(2E,5S)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851835
(2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136906275
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-(4-dodecoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135576445
5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(4-dodecoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135533365
5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135453536
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135582050
(2E)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135712021
(2E)-2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666059
(2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 136773708
5-[(4-propan-2-ylphenyl)methyl]-2-[(E)-(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137185309
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(9-ethylcarbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135776388
(2Z)-5-[(3-chlorophenyl)methyl]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473262

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135643806) is (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccc(Cl)cc2)SC1Cc1ccc(SC(F)F)cc1.
What is the InChIKey of (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is FPPYOTMLMPYRQM-LSHDLFTRSA-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)/b22-10+.
What are the key properties of (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(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 (2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135643806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).