(5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one

C22H21FN2O2S — CID 135971003

IUPAC(5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O2S/c23-19-8-4-1-5-16(19)14-27-18-11-9-15(10-12-18)13-20-21(26)25-22(28-20)24-17-6-2-3-7-17/h1,4-5,8-13,17H,2-3,6-7,14H2,(H,24,25,26)/b20-13-
InChIKeyXTJYPWPOWFUAGE-MOSHPQCFSA-N
MW396.49 g/mol
LogP4.91
Rot. Bonds5

About (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135971003) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135971003
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC Name(5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O2S/c23-19-8-4-1-5-16(19)14-27-18-11-9-15(10-12-18)13-20-21(26)25-22(28-20)24-17-6-2-3-7-17/h1,4-5,8-13,17H,2-3,6-7,14H2,(H,24,25,26)/b20-13-
InChIKeyXTJYPWPOWFUAGE-MOSHPQCFSA-N
XLogP4.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137122879
(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
2-cyclopentylimino-5-[[4-(3-methylbutoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135521007
(5E)-2-(4-fluorophenyl)imino-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137079886
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135486924
(5E)-2-(4-ethoxyphenyl)imino-5-[[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-thiazolidin-4-one
CID 137079632
methyl 4-[(Z)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135901065
(5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1121429
(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137080220
4-[(Z)-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135811297
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one
CID 573387

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one (CID 135971003) is (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is XTJYPWPOWFUAGE-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c23-19-8-4-1-5-16(19)14-27-18-11-9-15(10-12-18)13-20-21(26)25-22(28-20)24-17-6-2-3-7-17/h1,4-5,8-13,17H,2-3,6-7,14H2,(H,24,25,26)/b20-13-.
What are the key properties of (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 396.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135971003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).