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

C16H16F2N2O2S — CID 135753614

IUPAC(5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCC2)S/C1=C\c1ccccc1OC(F)F
InChIInChI=1S/C16H16F2N2O2S/c17-15(18)22-12-8-4-1-5-10(12)9-13-14(21)20-16(23-13)19-11-6-2-3-7-11/h1,4-5,8-9,11,15H,2-3,6-7H2,(H,19,20,21)/b13-9-
InChIKeyIJYBPKPDKVDEPL-LCYFTJDESA-N
MW338.38 g/mol
LogP3.79
Rot. Bonds4

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

(5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135753614) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is (5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135753614
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name(5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCC2)S/C1=C\c1ccccc1OC(F)F
InChIInChI=1S/C16H16F2N2O2S/c17-15(18)22-12-8-4-1-5-10(12)9-13-14(21)20-16(23-13)19-11-6-2-3-7-11/h1,4-5,8-9,11,15H,2-3,6-7H2,(H,19,20,21)/b13-9-
InChIKeyIJYBPKPDKVDEPL-LCYFTJDESA-N
XLogP3.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.79
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

(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
CID 136857975
2-[2-[(E)-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
CID 136823782
(5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 136857990
(5Z)-5-[[2-(difluoromethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7946615
(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136676797
(5Z)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135922813
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
(5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135971003
2-cyclopentylimino-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136577262
(5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135797648
(5Z)-2-cyclohexylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135490221

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 135753614) is (5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CCCC2)S/C1=C\c1ccccc1OC(F)F.
What is the InChIKey of (5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is IJYBPKPDKVDEPL-LCYFTJDESA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c17-15(18)22-12-8-4-1-5-10(12)9-13-14(21)20-16(23-13)19-11-6-2-3-7-11/h1,4-5,8-9,11,15H,2-3,6-7H2,(H,19,20,21)/b13-9-.
What are the key properties of (5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 338.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135753614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).