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

C24H17F2NO4S — CID 56679983

IUPAC(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2OCc2ccc(F)cc2)S1
InChIInChI=1S/C24H17F2NO4S/c25-18-6-1-15(2-7-18)13-30-20-10-5-17(11-22-23(28)27-24(29)32-22)21(12-20)31-14-16-3-8-19(26)9-4-16/h1-12H,13-14H2,(H,27,28,29)/b22-11-
InChIKeyTZJXGAUZPKGKBD-JJFYIABZSA-N
MW453.47 g/mol
LogP5.45
Rot. Bonds7

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

(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 56679983) has the molecular formula C24H17F2NO4S and a molecular weight of 453.47 g/mol. Its IUPAC name is (5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID56679983
Molecular FormulaC24H17F2NO4S
Molecular Weight453.47 g/mol
Exact Mass453.08
IUPAC Name(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2OCc2ccc(F)cc2)S1
InChIInChI=1S/C24H17F2NO4S/c25-18-6-1-15(2-7-18)13-30-20-10-5-17(11-22-23(28)27-24(29)32-22)21(12-20)31-14-16-3-8-19(26)9-4-16/h1-12H,13-14H2,(H,27,28,29)/b22-11-
InChIKeyTZJXGAUZPKGKBD-JJFYIABZSA-N
XLogP5.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.47
LogP ≤ 55.45
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-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56662949
(5Z)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1363496
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3791203
(5Z)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634014
(5E)-5-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87404156
(5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634011
(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 16634009
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 123423275
(5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 23562681
(5Z)-5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154792400
(5E)-5-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137050193
(5E)-5-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139041

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 56679983) is (5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2OCc2ccc(F)cc2)S1.
What is the InChIKey of (5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is TZJXGAUZPKGKBD-JJFYIABZSA-N. The full InChI is InChI=1S/C24H17F2NO4S/c25-18-6-1-15(2-7-18)13-30-20-10-5-17(11-22-23(28)27-24(29)32-22)21(12-20)31-14-16-3-8-19(26)9-4-16/h1-12H,13-14H2,(H,27,28,29)/b22-11-.
What are the key properties of (5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 453.47 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 56679983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).