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

C24H32N2OS — CID 4017105

IUPAC3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H32N2OS/c1-2-18-13-15-19(16-14-18)17-22-23(27)26(21-11-7-4-8-12-21)24(28-22)25-20-9-5-3-6-10-20/h13-17,20-21H,2-12H2,1H3/b22-17?,25-24-
InChIKeyPSVOZVOGCZZEPV-XGHPXPKMSA-N
MW396.60 g/mol
LogP6.19
Rot. Bonds4

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

3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 4017105) has the molecular formula C24H32N2OS and a molecular weight of 396.60 g/mol. Its IUPAC name is 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID4017105
Molecular FormulaC24H32N2OS
Molecular Weight396.60 g/mol
Exact Mass396.22
IUPAC Name3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(C=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H32N2OS/c1-2-18-13-15-19(16-14-18)17-22-23(27)26(21-11-7-4-8-12-21)24(28-22)25-20-9-5-3-6-10-20/h13-17,20-21H,2-12H2,1H3/b22-17?,25-24-
InChIKeyPSVOZVOGCZZEPV-XGHPXPKMSA-N
XLogP6.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 56.19
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

3-cyclohexyl-2-cyclohexylimino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5201501
3-cyclohexyl-2-cyclohexylimino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3919531
3-cyclohexyl-2-cyclohexylimino-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3294511
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843653
5-[[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 4239765
3-cyclohexyl-2-cyclohexylimino-5-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 3721110
5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 3985975
3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3672696
3-cyclohexyl-2-cyclohexylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 3946456
3-cyclohexyl-2-cyclohexylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 4693551
3-cyclohexyl-2-cyclohexylimino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3289532
3-cyclohexyl-2-cyclohexylimino-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3354438

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 4017105) is 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is CCc1ccc(C=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is PSVOZVOGCZZEPV-XGHPXPKMSA-N. The full InChI is InChI=1S/C24H32N2OS/c1-2-18-13-15-19(16-14-18)17-22-23(27)26(21-11-7-4-8-12-21)24(28-22)25-20-9-5-3-6-10-20/h13-17,20-21H,2-12H2,1H3/b22-17?,25-24-.
What are the key properties of 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?
3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 396.60 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4017105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).