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

C19H14FNO3S — CID 4793378

IUPAC5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H14FNO3S/c1-24-15-8-4-13(5-9-15)16(22)11-18-21-19(23)17(25-18)10-12-2-6-14(20)7-3-12/h2-11H,1H3,(H,21,23)
InChIKeyZNWLAARLILRYAR-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.08
Rot. Bonds4

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

5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 4793378) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID4793378
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Name5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H14FNO3S/c1-24-15-8-4-13(5-9-15)16(22)11-18-21-19(23)17(25-18)10-12-2-6-14(20)7-3-12/h2-11H,1H3,(H,21,23)
InChIKeyZNWLAARLILRYAR-UHFFFAOYSA-N
XLogP2.08
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Z)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 98392894
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
5-[(2,6-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4851772
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 8016933
(2Z,5Z)-5-[(3,5-dimethoxyphenyl)methylidene]-2-[2-(3,5-dimethoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 6213444
(2Z,5Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16554365
(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 22302335
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830998
(2E,5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 16554362
2-[3-[(E)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 154860635
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 21157240

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 4793378) is 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZNWLAARLILRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c1-24-15-8-4-13(5-9-15)16(22)11-18-21-19(23)17(25-18)10-12-2-6-14(20)7-3-12/h2-11H,1H3,(H,21,23).
What are the key properties of 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 355.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4793378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).