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

C17H14F2N4OS2 — CID 137187527

IUPAC5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=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 5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137187527) has the molecular formula C17H14F2N4OS2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137187527
Molecular FormulaC17H14F2N4OS2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC Name5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=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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Related Compounds

(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135582050
(2E)-2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666059
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135643806
(2E,5S)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851835
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135628295
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(9-ethylcarbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135776388
(2Z,5S)-5-benzyl-2-[(Z)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135885577
(2Z)-5-benzyl-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909626
(2E,5R)-5-[(3-methylphenyl)methyl]-2-[(Z)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780019
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135675908
(2Z,5S)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136829496
5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135468974

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137187527) is 5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1NC(=N/N=C/c2ccccn2)SC1Cc1cccc(SC(F)F)c1.
What is the InChIKey of 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 5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
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 5-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-pyridin-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137187527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).