(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one

C29H27ClN2O2S — CID 21206948

IUPAC(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S/C(=N\c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C29H27ClN2O2S/c30-23-15-11-22(12-16-23)20-34-26-17-13-21(14-18-26)19-27-28(33)32(25-9-5-2-6-10-25)29(35-27)31-24-7-3-1-4-8-24/h1,3-4,7-8,11-19,25H,2,5-6,9-10,20H2/b27-19-,31-29-
InChIKeyBNHPOJLYJMWDGL-BOTKPODPSA-N
MW503.07 g/mol
LogP7.86
Rot. Bonds6

About (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 21206948) has the molecular formula C29H27ClN2O2S and a molecular weight of 503.07 g/mol. Its IUPAC name is (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID21206948
Molecular FormulaC29H27ClN2O2S
Molecular Weight503.07 g/mol
Exact Mass502.15
IUPAC Name(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S/C(=N\c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C29H27ClN2O2S/c30-23-15-11-22(12-16-23)20-34-26-17-13-21(14-18-26)19-27-28(33)32(25-9-5-2-6-10-25)29(35-27)31-24-7-3-1-4-8-24/h1,3-4,7-8,11-19,25H,2,5-6,9-10,20H2/b27-19-,31-29-
InChIKeyBNHPOJLYJMWDGL-BOTKPODPSA-N
XLogP7.86
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.07
LogP ≤ 57.86
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'}

Analyze (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 21212556
3-cyclopentyl-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 3377873
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
2-[4-[(E)-[3-cyclohexyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 6372550
5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3742421
4-[[2-bromo-4-[(E)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzonitrile
CID 126149067
3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4596884
3-[[(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846233
5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5166618

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one (CID 21206948) is (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S/C(=N\c2ccccc2)N1C1CCCCC1.
What is the InChIKey of (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is BNHPOJLYJMWDGL-BOTKPODPSA-N. The full InChI is InChI=1S/C29H27ClN2O2S/c30-23-15-11-22(12-16-23)20-34-26-17-13-21(14-18-26)19-27-28(33)32(25-9-5-2-6-10-25)29(35-27)31-24-7-3-1-4-8-24/h1,3-4,7-8,11-19,25H,2,5-6,9-10,20H2/b27-19-,31-29-.
What are the key properties of (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 503.07 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 21206948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).