(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

C24H18FNO4S — CID 56662949

IUPAC(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2OCc2ccccc2)S1
InChIInChI=1S/C24H18FNO4S/c25-19-9-6-17(7-10-19)14-29-20-11-8-18(12-22-23(27)26-24(28)31-22)21(13-20)30-15-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27,28)/b22-12-
InChIKeyLVPAAEJZWBWWJL-UUYOSTAYSA-N
MW435.48 g/mol
LogP5.31
Rot. Bonds7

About (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 56662949) has the molecular formula C24H18FNO4S and a molecular weight of 435.48 g/mol. Its IUPAC name is (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID56662949
Molecular FormulaC24H18FNO4S
Molecular Weight435.48 g/mol
Exact Mass435.09
IUPAC Name(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2OCc2ccccc2)S1
InChIInChI=1S/C24H18FNO4S/c25-19-9-6-17(7-10-19)14-29-20-11-8-18(12-22-23(27)26-24(28)31-22)21(13-20)30-15-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27,28)/b22-12-
InChIKeyLVPAAEJZWBWWJL-UUYOSTAYSA-N
XLogP5.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56679983
(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 16634009
(5Z)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634014
(5Z)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1363496
5-[[2-chloro-4-(2-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75216603
(5Z)-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1270037
(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1490858
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3791203
(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1327232
(5Z)-5-[[1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168953788
(5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 23562681
(5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10368305

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 56662949) is (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2OCc2ccccc2)S1.
What is the InChIKey of (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LVPAAEJZWBWWJL-UUYOSTAYSA-N. The full InChI is InChI=1S/C24H18FNO4S/c25-19-9-6-17(7-10-19)14-29-20-11-8-18(12-22-23(27)26-24(28)31-22)21(13-20)30-15-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27,28)/b22-12-.
What are the key properties of (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 435.48 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 56662949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).