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

C26H19F2NO3S — CID 92935996

IUPAC(2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\s/c(=C/c3ccc(F)cc3)c(=O)n2Cc2cccc(F)c2)cc1
InChIInChI=1S/C26H19F2NO3S/c1-32-22-11-7-19(8-12-22)23(30)15-25-29(16-18-3-2-4-21(28)13-18)26(31)24(33-25)14-17-5-9-20(27)10-6-17/h2-15H,16H2,1H3/b24-14+,25-15-
InChIKeyLYBJZHZSJKOCDH-LUWDBDBNSA-N
MW463.51 g/mol
LogP3.74
Rot. Bonds6

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

(2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 92935996) has the molecular formula C26H19F2NO3S and a molecular weight of 463.51 g/mol. Its IUPAC name is (2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID92935996
Molecular FormulaC26H19F2NO3S
Molecular Weight463.51 g/mol
Exact Mass463.11
IUPAC Name(2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\s/c(=C/c3ccc(F)cc3)c(=O)n2Cc2cccc(F)c2)cc1
InChIInChI=1S/C26H19F2NO3S/c1-32-22-11-7-19(8-12-22)23(30)15-25-29(16-18-3-2-4-21(28)13-18)26(31)24(33-25)14-17-5-9-20(27)10-6-17/h2-15H,16H2,1H3/b24-14+,25-15-
InChIKeyLYBJZHZSJKOCDH-LUWDBDBNSA-N
XLogP3.74
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z,5Z)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-3-[(3-fluorophenyl)methyl]-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 6215882
5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4793378
(2Z,5E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831553
ethyl (2Z)-2-[(5E)-3-[(4-fluorophenyl)methyl]-5-[(4-methylsulfanylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 6388835
ethyl (2Z)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetate
CID 2530329
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-[(2-fluorophenyl)methyl]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 8716152
2-[(2Z,5E)-5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylacetamide
CID 17471818
4-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005234
ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 24582982
4-[(Z)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 98392894
ethyl (2Z)-2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2472541
ethyl (2E)-2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2472539

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 92935996) is (2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1ccc(C(=O)/C=c2\s/c(=C/c3ccc(F)cc3)c(=O)n2Cc2cccc(F)c2)cc1.
What is the InChIKey of (2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is LYBJZHZSJKOCDH-LUWDBDBNSA-N. The full InChI is InChI=1S/C26H19F2NO3S/c1-32-22-11-7-19(8-12-22)23(30)15-25-29(16-18-3-2-4-21(28)13-18)26(31)24(33-25)14-17-5-9-20(27)10-6-17/h2-15H,16H2,1H3/b24-14+,25-15-.
What are the key properties of (2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 463.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-3-[(3-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 92935996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).