(5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one

C15H8F3NO2S3 — CID 10150584

IUPAC(5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(Sc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H8F3NO2S3/c16-15(17,18)8-2-1-3-10(6-8)23-12-5-4-9(21-12)7-11-13(20)19-14(22)24-11/h1-7H,(H,19,20,22)/b11-7-
InChIKeyNBKGOJAUMKSCGA-XFFZJAGNSA-N
MW387.43 g/mol
LogP4.94
Rot. Bonds3

About (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 10150584) has the molecular formula C15H8F3NO2S3 and a molecular weight of 387.43 g/mol. Its IUPAC name is (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID10150584
Molecular FormulaC15H8F3NO2S3
Molecular Weight387.43 g/mol
Exact Mass386.97
IUPAC Name(5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(Sc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H8F3NO2S3/c16-15(17,18)8-2-1-3-10(6-8)23-12-5-4-9(21-12)7-11-13(20)19-14(22)24-11/h1-7H,(H,19,20,22)/b11-7-
InChIKeyNBKGOJAUMKSCGA-XFFZJAGNSA-N
XLogP4.94
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1275695
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1369930
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1380155
(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
2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]imidazolidin-4-one
CID 4108905
(5E)-3-methyl-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 2177207
2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135498322
(5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118069681
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354400
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6529363
(5E)-5-[(5-methylfuran-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135766124

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 10150584) is (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc(Sc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is NBKGOJAUMKSCGA-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H8F3NO2S3/c16-15(17,18)8-2-1-3-10(6-8)23-12-5-4-9(21-12)7-11-13(20)19-14(22)24-11/h1-7H,(H,19,20,22)/b11-7-.
What are the key properties of (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 387.43 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10150584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).