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

C18H11ClFNO2S — CID 86775981

IUPAC(2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C\c2ccc(F)cc2)s1)c1cccc(Cl)c1
InChIInChI=1S/C18H11ClFNO2S/c19-13-3-1-2-12(9-13)15(22)10-17-21-18(23)16(24-17)8-11-4-6-14(20)7-5-11/h1-10H,(H,21,23)/b16-8+,17-10-
InChIKeyUNJPIACTTGQORB-IRQOBONWSA-N
MW359.81 g/mol
LogP2.72
Rot. Bonds3

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

(2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 86775981) has the molecular formula C18H11ClFNO2S and a molecular weight of 359.81 g/mol. Its IUPAC name is (2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID86775981
Molecular FormulaC18H11ClFNO2S
Molecular Weight359.81 g/mol
Exact Mass359.02
IUPAC Name(2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C\c2ccc(F)cc2)s1)c1cccc(Cl)c1
InChIInChI=1S/C18H11ClFNO2S/c19-13-3-1-2-12(9-13)15(22)10-17-21-18(23)16(24-17)8-11-4-6-14(20)7-5-11/h1-10H,(H,21,23)/b16-8+,17-10-
InChIKeyUNJPIACTTGQORB-IRQOBONWSA-N
XLogP2.72
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 86775981) is (2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C(/C=c1/[nH]c(=O)/c(=C\c2ccc(F)cc2)s1)c1cccc(Cl)c1.
What is the InChIKey of (2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is UNJPIACTTGQORB-IRQOBONWSA-N. The full InChI is InChI=1S/C18H11ClFNO2S/c19-13-3-1-2-12(9-13)15(22)10-17-21-18(23)16(24-17)8-11-4-6-14(20)7-5-11/h1-10H,(H,21,23)/b16-8+,17-10-.
What are the key properties of (2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 359.81 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 86775981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).