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

C18H11ClFNO2S — CID 4796506

IUPAC2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C(C=c1[nH]c(=O)c(=Cc2cccc(F)c2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClFNO2S/c19-13-6-4-12(5-7-13)15(22)10-17-21-18(23)16(24-17)9-11-2-1-3-14(20)8-11/h1-10H,(H,21,23)
InChIKeyUVIDBXNRMQCWJX-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.72
Rot. Bonds3

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

2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 4796506) has the molecular formula C18H11ClFNO2S and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID4796506
Molecular FormulaC18H11ClFNO2S
Molecular Weight359.81 g/mol
Exact Mass359.02
IUPAC Name2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C(C=c1[nH]c(=O)c(=Cc2cccc(F)c2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClFNO2S/c19-13-6-4-12(5-7-13)15(22)10-17-21-18(23)16(24-17)9-11-2-1-3-14(20)8-11/h1-10H,(H,21,23)
InChIKeyUVIDBXNRMQCWJX-UHFFFAOYSA-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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Related Compounds

(2E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 6221738
(5Z)-5-[[4-[(E)-3-(3-chlorophenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 53376575
(5Z)-5-[[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 53376576
(5E)-5-[[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 70689152
(5E)-5-[[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 70689153
(5E)-5-[[4-[(E)-3-(3-chlorophenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 70697474
2-[2-(4-Chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 870635
(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2120340
(2Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2546224
2-(2-(3-Chlorophenyl)-2-oxoethylidene)-1,3-thiazolidin-4-one
CID 4868407
5-[3-(4-Chloro-phenyl)-5-oxo-1,5-diphenyl-pent-2-enylidene]-2-thioxo-thiazolidin-4-one
CID 11836081
5-[(4-Fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4800828

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 4796506) is 2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C(C=c1[nH]c(=O)c(=Cc2cccc(F)c2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is UVIDBXNRMQCWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFNO2S/c19-13-6-4-12(5-7-13)15(22)10-17-21-18(23)16(24-17)9-11-2-1-3-14(20)8-11/h1-10H,(H,21,23).
What are the key properties of 2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-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 2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4796506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).