3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C28H24Cl2N2O2S — CID 3377873

IUPAC3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S/C(=N\c2ccccc2)N1C1CCCC1
InChIInChI=1S/C28H24Cl2N2O2S/c29-24-15-12-20(16-25(24)30)18-34-23-13-10-19(11-14-23)17-26-27(33)32(22-8-4-5-9-22)28(35-26)31-21-6-2-1-3-7-21/h1-3,6-7,10-17,22H,4-5,8-9,18H2/b26-17?,31-28-
InChIKeyCZHLVYTYDLJEOL-YRZPOMSESA-N
MW523.49 g/mol
LogP8.12
Rot. Bonds6

About 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 3377873) has the molecular formula C28H24Cl2N2O2S and a molecular weight of 523.49 g/mol. Its IUPAC name is 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID3377873
Molecular FormulaC28H24Cl2N2O2S
Molecular Weight523.49 g/mol
Exact Mass522.09
IUPAC Name3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S/C(=N\c2ccccc2)N1C1CCCC1
InChIInChI=1S/C28H24Cl2N2O2S/c29-24-15-12-20(16-25(24)30)18-34-23-13-10-19(11-14-23)17-26-27(33)32(22-8-4-5-9-22)28(35-26)31-21-6-2-1-3-7-21/h1-3,6-7,10-17,22H,4-5,8-9,18H2/b26-17?,31-28-
InChIKeyCZHLVYTYDLJEOL-YRZPOMSESA-N
XLogP8.12
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.49
LogP ≤ 58.12
H-Bond Donors ≤ 50
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-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21206948
4-[[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 21212556
5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3742421
4-[[4-chloro-2-[(E)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzonitrile
CID 126148414
(5Z)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6253250
(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290095
(5Z)-3-cyclohexyl-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 96883789
5-[[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 4539879
(5Z)-3-cyclohexyl-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 21206962
3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4596884
(5Z)-3-cyclohexyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 124540993
2-[4-[(E)-[3-cyclohexyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 6372550

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 3377873) is 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S/C(=N\c2ccccc2)N1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is CZHLVYTYDLJEOL-YRZPOMSESA-N. The full InChI is InChI=1S/C28H24Cl2N2O2S/c29-24-15-12-20(16-25(24)30)18-34-23-13-10-19(11-14-23)17-26-27(33)32(22-8-4-5-9-22)28(35-26)31-21-6-2-1-3-7-21/h1-3,6-7,10-17,22H,4-5,8-9,18H2/b26-17?,31-28-.
What are the key properties of 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 523.49 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3377873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).