5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one

C25H33ClN2O3S — CID 4313042

IUPAC5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
SMILESCCOc1c(Cl)cc(C=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1OC
InChIInChI=1S/C25H33ClN2O3S/c1-3-31-23-20(26)14-17(15-21(23)30-2)16-22-24(29)28(19-12-8-5-9-13-19)25(32-22)27-18-10-6-4-7-11-18/h14-16,18-19H,3-13H2,1-2H3/b22-16?,27-25-
InChIKeyGVZHGZIEBVBJJS-HDBDFWNXSA-N
MW477.07 g/mol
LogP6.68
Rot. Bonds6

About 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one

5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one (PubChem CID 4313042) has the molecular formula C25H33ClN2O3S and a molecular weight of 477.07 g/mol. Its IUPAC name is 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
PubChem CID4313042
Molecular FormulaC25H33ClN2O3S
Molecular Weight477.07 g/mol
Exact Mass476.19
IUPAC Name5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
SMILESCCOc1c(Cl)cc(C=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1OC
InChIInChI=1S/C25H33ClN2O3S/c1-3-31-23-20(26)14-17(15-21(23)30-2)16-22-24(29)28(19-12-8-5-9-13-19)25(32-22)27-18-10-6-4-7-11-18/h14-16,18-19H,3-13H2,1-2H3/b22-16?,27-25-
InChIKeyGVZHGZIEBVBJJS-HDBDFWNXSA-N
XLogP6.68
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.07
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-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

5-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 3938362
2-[2-chloro-4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3893063
5-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 3981808
3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5201501
3-cyclohexyl-2-cyclohexylimino-5-[[3-iodo-5-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 3609170
5-[[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 4539879
4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid
CID 3968347
5-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 4151358
3-cyclohexyl-2-cyclohexylimino-5-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 3721110
5-[[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 4239765
5-[[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 5005692
2-[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 3431989

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one (CID 4313042) is 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one is CCOc1c(Cl)cc(C=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1OC.
What is the InChIKey of 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one?
The InChIKey is GVZHGZIEBVBJJS-HDBDFWNXSA-N. The full InChI is InChI=1S/C25H33ClN2O3S/c1-3-31-23-20(26)14-17(15-21(23)30-2)16-22-24(29)28(19-12-8-5-9-13-19)25(32-22)27-18-10-6-4-7-11-18/h14-16,18-19H,3-13H2,1-2H3/b22-16?,27-25-.
What are the key properties of 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one?
5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one has a molecular weight of 477.07 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 4313042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).