2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C20H12F3N3O3S — CID 135498322

IUPAC2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H12F3N3O3S/c21-20(22,23)13-4-1-3-12(9-13)16-7-6-14(29-16)10-17-18(27)25-19(30-17)26-24-11-15-5-2-8-28-15/h1-11H,(H,25,26,27)
InChIKeyJZZPOWMNBIETNF-UHFFFAOYSA-N
MW431.40 g/mol
LogP5.15
Rot. Bonds4

About 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one

2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135498322) has the molecular formula C20H12F3N3O3S and a molecular weight of 431.40 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135498322
Molecular FormulaC20H12F3N3O3S
Molecular Weight431.40 g/mol
Exact Mass431.06
IUPAC Name2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H12F3N3O3S/c21-20(22,23)13-4-1-3-12(9-13)16-7-6-14(29-16)10-17-18(27)25-19(30-17)26-24-11-15-5-2-8-28-15/h1-11H,(H,25,26,27)
InChIKeyJZZPOWMNBIETNF-UHFFFAOYSA-N
XLogP5.15
TPSA80.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135844418
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135487093
4-chloro-N-[(5Z)-4-oxo-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-ylidene]benzamide
CID 137065320
2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135413268
(2E)-2-(benzylidenehydrazinylidene)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135665801
(2Z)-2-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135451255
(5E)-3-methyl-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 2177207
(5E)-5-[(5-methylfuran-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135766124
(5E)-5-[(5-bromofuran-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135844577
(2E,5E)-2-[(E)-benzylidenehydrazinylidene]-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135782311
2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]imidazolidin-4-one
CID 4108905
(5Z)-4-(4-chlorophenyl)imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782273

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 135498322) is 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is JZZPOWMNBIETNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O3S/c21-20(22,23)13-4-1-3-12(9-13)16-7-6-14(29-16)10-17-18(27)25-19(30-17)26-24-11-15-5-2-8-28-15/h1-11H,(H,25,26,27).
What are the key properties of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 431.40 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135498322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).