(5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C17H9F3N4O3S2 — CID 135810675

IUPAC(5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(Sc2nnc(C(F)(F)F)o2)o1
InChIInChI=1S/C17H9F3N4O3S2/c18-17(19,20)14-23-24-16(27-14)29-12-7-6-10(26-12)8-11-13(25)22-15(28-11)21-9-4-2-1-3-5-9/h1-8H,(H,21,22,25)/b11-8-
InChIKeyYPEKFAOFYAGEFS-FLIBITNWSA-N
MW438.41 g/mol
LogP4.72
Rot. Bonds4

About (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135810675) has the molecular formula C17H9F3N4O3S2 and a molecular weight of 438.41 g/mol. Its IUPAC name is (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135810675
Molecular FormulaC17H9F3N4O3S2
Molecular Weight438.41 g/mol
Exact Mass438.01
IUPAC Name(5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(Sc2nnc(C(F)(F)F)o2)o1
InChIInChI=1S/C17H9F3N4O3S2/c18-17(19,20)14-23-24-16(27-14)29-12-7-6-10(26-12)8-11-13(25)22-15(28-11)21-9-4-2-1-3-5-9/h1-8H,(H,21,22,25)/b11-8-
InChIKeyYPEKFAOFYAGEFS-FLIBITNWSA-N
XLogP4.72
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135437461
2-sulfanylidene-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-diazinane-4,6-dione
CID 21234037
3-[5-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 135628756
(5Z)-2-(3-methylphenyl)imino-5-[[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 137036107
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137035869
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135512915
(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
5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135480912
(5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137036263
(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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 135810675) is (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(Sc2nnc(C(F)(F)F)o2)o1.
What is the InChIKey of (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is YPEKFAOFYAGEFS-FLIBITNWSA-N. The full InChI is InChI=1S/C17H9F3N4O3S2/c18-17(19,20)14-23-24-16(27-14)29-12-7-6-10(26-12)8-11-13(25)22-15(28-11)21-9-4-2-1-3-5-9/h1-8H,(H,21,22,25)/b11-8-.
What are the key properties of (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 438.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-phenylimino-5-[[5-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135810675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).