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

C24H32N2O2S — CID 5201501

IUPAC3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H32N2O2S/c1-2-28-21-15-13-18(14-16-21)17-22-23(27)26(20-11-7-4-8-12-20)24(29-22)25-19-9-5-3-6-10-19/h13-17,19-20H,2-12H2,1H3/b22-17?,25-24-
InChIKeyLNYJESFIIKRWAW-XGHPXPKMSA-N
MW412.60 g/mol
LogP6.02
Rot. Bonds5

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

3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 5201501) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID5201501
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Name3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(C=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H32N2O2S/c1-2-28-21-15-13-18(14-16-21)17-22-23(27)26(20-11-7-4-8-12-20)24(29-22)25-19-9-5-3-6-10-19/h13-17,19-20H,2-12H2,1H3/b22-17?,25-24-
InChIKeyLNYJESFIIKRWAW-XGHPXPKMSA-N
XLogP6.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 56.02
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 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 5201501) is 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is CCOc1ccc(C=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is LNYJESFIIKRWAW-XGHPXPKMSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-2-28-21-15-13-18(14-16-21)17-22-23(27)26(20-11-7-4-8-12-20)24(29-22)25-19-9-5-3-6-10-19/h13-17,19-20H,2-12H2,1H3/b22-17?,25-24-.
What are the key properties of 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 412.60 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5201501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).