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

C17H14F2N4OS2 — CID 135510936

IUPAC(2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccn2)SC1Cc1cccc(SC(F)F)c1
InChIInChI=1S/C17H14F2N4OS2/c18-16(19)25-13-6-3-4-11(8-13)9-14-15(24)22-17(26-14)23-21-10-12-5-1-2-7-20-12/h1-8,10,14,16H,9H2,(H,22,23,24)/b21-10+
InChIKeyCIZCEUDVSNCUDP-UFFVCSGVSA-N
MW392.46 g/mol
LogP3.56
Rot. Bonds6

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

(2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135510936) has the molecular formula C17H14F2N4OS2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135510936
Molecular FormulaC17H14F2N4OS2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC Name(2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccn2)SC1Cc1cccc(SC(F)F)c1
InChIInChI=1S/C17H14F2N4OS2/c18-16(19)25-13-6-3-4-11(8-13)9-14-15(24)22-17(26-14)23-21-10-12-5-1-2-7-20-12/h1-8,10,14,16H,9H2,(H,22,23,24)/b21-10+
InChIKeyCIZCEUDVSNCUDP-UFFVCSGVSA-N
XLogP3.56
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.56
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135510936) is (2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccccn2)SC1Cc1cccc(SC(F)F)c1.
What is the InChIKey of (2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CIZCEUDVSNCUDP-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H14F2N4OS2/c18-16(19)25-13-6-3-4-11(8-13)9-14-15(24)22-17(26-14)23-21-10-12-5-1-2-7-20-12/h1-8,10,14,16H,9H2,(H,22,23,24)/b21-10+.
What are the key properties of (2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135510936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).