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

C16H10FNO3S — CID 7514722

IUPAC(2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(F)c2)s1)c1ccco1
InChIInChI=1S/C16H10FNO3S/c17-11-4-1-3-10(7-11)8-14-16(20)18-15(22-14)9-12(19)13-5-2-6-21-13/h1-9H,(H,18,20)/b14-8-,15-9-
InChIKeyWHQILSGZDINSBU-SFGFDRCGSA-N
MW315.32 g/mol
LogP1.66
Rot. Bonds3

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

(2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 7514722) has the molecular formula C16H10FNO3S and a molecular weight of 315.32 g/mol. Its IUPAC name is (2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID7514722
Molecular FormulaC16H10FNO3S
Molecular Weight315.32 g/mol
Exact Mass315.04
IUPAC Name(2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(F)c2)s1)c1ccco1
InChIInChI=1S/C16H10FNO3S/c17-11-4-1-3-10(7-11)8-14-16(20)18-15(22-14)9-12(19)13-5-2-6-21-13/h1-9H,(H,18,20)/b14-8-,15-9-
InChIKeyWHQILSGZDINSBU-SFGFDRCGSA-N
XLogP1.66
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(5Z)-5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46233541
5-[5-(2-Fluorophenyl)furan-2-ylmethylene]thiazolidine-2,4-dione
CID 9342140
C14H8Fno3S
CID 1204894
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 6215404
N-butan-2-yl-2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 6390206
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 8194567
4-[[2-[2-(2-Furanyl)-2-oxoethylidene]-4-oxo-5-thiazolidinylidene]methyl]benzoic acid
CID 44229065
5-(4-(Furan-2-ylmethoxy)benzylidene)thiazolidine-2,4-dione
CID 75180741
(5Z)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142277484
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 2110429

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 7514722) is (2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one is O=C(/C=c1/[nH]c(=O)/c(=C/c2cccc(F)c2)s1)c1ccco1.
What is the InChIKey of (2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is WHQILSGZDINSBU-SFGFDRCGSA-N. The full InChI is InChI=1S/C16H10FNO3S/c17-11-4-1-3-10(7-11)8-14-16(20)18-15(22-14)9-12(19)13-5-2-6-21-13/h1-9H,(H,18,20)/b14-8-,15-9-.
What are the key properties of (2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 315.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(3-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 7514722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).