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

C15H9F3N2O2S — CID 138376628

IUPAC(5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-2-8(6-9)11-5-4-10(22-11)7-12-13(21)20-14(19)23-12/h1-7H,(H2,19,20,21)/b12-7+
InChIKeyREMMNCHRIXUIFQ-KPKJPENVSA-N
MW338.31 g/mol
LogP4.10
Rot. Bonds2

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

(5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 138376628) has the molecular formula C15H9F3N2O2S and a molecular weight of 338.31 g/mol. Its IUPAC name is (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID138376628
Molecular FormulaC15H9F3N2O2S
Molecular Weight338.31 g/mol
Exact Mass338.03
IUPAC Name(5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1
InChIInChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-2-8(6-9)11-5-4-10(22-11)7-12-13(21)20-14(19)23-12/h1-7H,(H2,19,20,21)/b12-7+
InChIKeyREMMNCHRIXUIFQ-KPKJPENVSA-N
XLogP4.10
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

4-(5-((Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl)-2-Furyl)-N-Methylbenzenesulfonamide
CID 137349058
4-(5-((1Z)-1-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl)-2-furyl)benzenesulfonamide
CID 137349070
4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzenesulfonamide
CID 137349062
4-{5-[(Z)-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-YL}-2-(trifluoromethyl)benzenesulfonamide
CID 137349068
2-Thioxo-5-((5-(3-(trifluoromethyl)PH)-2-furyl)methylene)-1,3-thiazolidin-4-one
CID 1275778
(E)-5-((5-(4-fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione
CID 1204893
5-[[5-(4-Fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
3-[5-[(E)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 140534484
4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
CID 137349069
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777683
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154778142
(5E)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 155541927

Frequently Asked Questions

What is the IUPAC name of (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 138376628) is (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S1.
What is the InChIKey of (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is REMMNCHRIXUIFQ-KPKJPENVSA-N. The full InChI is InChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-2-8(6-9)11-5-4-10(22-11)7-12-13(21)20-14(19)23-12/h1-7H,(H2,19,20,21)/b12-7+.
What are the key properties of (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 338.31 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-imino-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 138376628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).