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

C17H10F3NO3S — CID 6215404

IUPAC(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2C(F)(F)F)s1)c1ccco1
InChIInChI=1S/C17H10F3NO3S/c18-17(19,20)11-5-2-1-4-10(11)8-14-16(23)21-15(25-14)9-12(22)13-6-3-7-24-13/h1-9H,(H,21,23)/b14-8-,15-9-
InChIKeyVKWFXELFHSRYFZ-SFGFDRCGSA-N
MW365.33 g/mol
LogP2.54
Rot. Bonds3

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

(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 6215404) has the molecular formula C17H10F3NO3S and a molecular weight of 365.33 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID6215404
Molecular FormulaC17H10F3NO3S
Molecular Weight365.33 g/mol
Exact Mass365.03
IUPAC Name(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2C(F)(F)F)s1)c1ccco1
InChIInChI=1S/C17H10F3NO3S/c18-17(19,20)11-5-2-1-4-10(11)8-14-16(23)21-15(25-14)9-12(22)13-6-3-7-24-13/h1-9H,(H,21,23)/b14-8-,15-9-
InChIKeyVKWFXELFHSRYFZ-SFGFDRCGSA-N
XLogP2.54
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 6215404) is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is O=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2C(F)(F)F)s1)c1ccco1.
What is the InChIKey of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is VKWFXELFHSRYFZ-SFGFDRCGSA-N. The full InChI is InChI=1S/C17H10F3NO3S/c18-17(19,20)11-5-2-1-4-10(11)8-14-16(23)21-15(25-14)9-12(22)13-6-3-7-24-13/h1-9H,(H,21,23)/b14-8-,15-9-.
What are the key properties of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 365.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6215404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).