(5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

C15H9F3N2OS2 — CID 135905006

IUPAC(5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccsc1
InChIInChI=1S/C15H9F3N2OS2/c16-15(17,18)10-2-1-3-11(7-10)19-14-20-13(21)12(23-14)6-9-4-5-22-8-9/h1-8H,(H,19,20,21)/b12-6-
InChIKeyKIGGPFKNFGFNIJ-SDQBBNPISA-N
MW354.38 g/mol
LogP4.66
Rot. Bonds2

About (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

(5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135905006) has the molecular formula C15H9F3N2OS2 and a molecular weight of 354.38 g/mol. Its IUPAC name is (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135905006
Molecular FormulaC15H9F3N2OS2
Molecular Weight354.38 g/mol
Exact Mass354.01
IUPAC Name(5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccsc1
InChIInChI=1S/C15H9F3N2OS2/c16-15(17,18)10-2-1-3-11(7-10)19-14-20-13(21)12(23-14)6-9-4-5-22-8-9/h1-8H,(H,19,20,21)/b12-6-
InChIKeyKIGGPFKNFGFNIJ-SDQBBNPISA-N
XLogP4.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135457268
(5Z)-2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135770918
5-[[4-(dimethylamino)phenyl]methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135523281
(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135563230
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135466341
(5Z)-2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135770906
(5E)-5-[(5-bromofuran-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135844577
(5E)-5-[(5-methylfuran-2-yl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135766124
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135490696
(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-(4-hydroxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135486601

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135905006) is (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccsc1.
What is the InChIKey of (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is KIGGPFKNFGFNIJ-SDQBBNPISA-N. The full InChI is InChI=1S/C15H9F3N2OS2/c16-15(17,18)10-2-1-3-11(7-10)19-14-20-13(21)12(23-14)6-9-4-5-22-8-9/h1-8H,(H,19,20,21)/b12-6-.
What are the key properties of (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
(5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 354.38 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(thiophen-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135905006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).