(2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one

C18H12F3NO2S2 — CID 8831426

IUPAC(2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCn1c(=O)/c(=C\c2ccc(C(F)(F)F)cc2)s/c1=C\C(=O)c1cccs1
InChIInChI=1S/C18H12F3NO2S2/c1-22-16(10-13(23)14-3-2-8-25-14)26-15(17(22)24)9-11-4-6-12(7-5-11)18(19,20)21/h2-10H,1H3/b15-9+,16-10-
InChIKeyGPNXLLACJVMGKF-TYVLLQCESA-N
MW395.43 g/mol
LogP3.02
Rot. Bonds3

About (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one

(2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 8831426) has the molecular formula C18H12F3NO2S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID8831426
Molecular FormulaC18H12F3NO2S2
Molecular Weight395.43 g/mol
Exact Mass395.03
IUPAC Name(2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCn1c(=O)/c(=C\c2ccc(C(F)(F)F)cc2)s/c1=C\C(=O)c1cccs1
InChIInChI=1S/C18H12F3NO2S2/c1-22-16(10-13(23)14-3-2-8-25-14)26-15(17(22)24)9-11-4-6-12(7-5-11)18(19,20)21/h2-10H,1H3/b15-9+,16-10-
InChIKeyGPNXLLACJVMGKF-TYVLLQCESA-N
XLogP3.02
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 8831426) is (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is Cn1c(=O)/c(=C\c2ccc(C(F)(F)F)cc2)s/c1=C\C(=O)c1cccs1.
What is the InChIKey of (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is GPNXLLACJVMGKF-TYVLLQCESA-N. The full InChI is InChI=1S/C18H12F3NO2S2/c1-22-16(10-13(23)14-3-2-8-25-14)26-15(17(22)24)9-11-4-6-12(7-5-11)18(19,20)21/h2-10H,1H3/b15-9+,16-10-.
What are the key properties of (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
(2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 395.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8831426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).