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

C21H19ClN2OS — CID 3742421

IUPAC5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccccc2Cl)S/C(=N\c2ccccc2)N1C1CCCC1
InChIInChI=1S/C21H19ClN2OS/c22-18-13-7-4-8-15(18)14-19-20(25)24(17-11-5-6-12-17)21(26-19)23-16-9-2-1-3-10-16/h1-4,7-10,13-14,17H,5-6,11-12H2/b19-14?,23-21-
InChIKeyVUAZIAQMHKSEQZ-AVQRYPNPSA-N
MW382.92 g/mol
LogP5.89
Rot. Bonds3

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

5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 3742421) has the molecular formula C21H19ClN2OS and a molecular weight of 382.92 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID3742421
Molecular FormulaC21H19ClN2OS
Molecular Weight382.92 g/mol
Exact Mass382.09
IUPAC Name5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccccc2Cl)S/C(=N\c2ccccc2)N1C1CCCC1
InChIInChI=1S/C21H19ClN2OS/c22-18-13-7-4-8-15(18)14-19-20(25)24(17-11-5-6-12-17)21(26-19)23-16-9-2-1-3-10-16/h1-4,7-10,13-14,17H,5-6,11-12H2/b19-14?,23-21-
InChIKeyVUAZIAQMHKSEQZ-AVQRYPNPSA-N
XLogP5.89
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3982627
(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
5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5166618
(5Z)-3-cyclohexyl-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 21206962
(5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290213
(5Z)-3-cyclohexyl-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 98105743
3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 3377873
(5Z)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126007036
(5Z)-3-cyclohexyl-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 96883789
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21206948
3-[[(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846617

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one (CID 3742421) is 5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1C(=Cc2ccccc2Cl)S/C(=N\c2ccccc2)N1C1CCCC1.
What is the InChIKey of 5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is VUAZIAQMHKSEQZ-AVQRYPNPSA-N. The full InChI is InChI=1S/C21H19ClN2OS/c22-18-13-7-4-8-15(18)14-19-20(25)24(17-11-5-6-12-17)21(26-19)23-16-9-2-1-3-10-16/h1-4,7-10,13-14,17H,5-6,11-12H2/b19-14?,23-21-.
What are the key properties of 5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one?
5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 382.92 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3742421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).