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

C23H30N2OS — CID 3672696

IUPAC3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C=C1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H30N2OS/c1-17-10-8-9-11-18(17)16-21-22(26)25(20-14-6-3-7-15-20)23(27-21)24-19-12-4-2-5-13-19/h8-11,16,19-20H,2-7,12-15H2,1H3/b21-16?,24-23-
InChIKeyDQCDXIXYSXBDGT-PMAREGJYSA-N
MW382.57 g/mol
LogP5.93
Rot. Bonds3

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

3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 3672696) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is 3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID3672696
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C=C1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H30N2OS/c1-17-10-8-9-11-18(17)16-21-22(26)25(20-14-6-3-7-15-20)23(27-21)24-19-12-4-2-5-13-19/h8-11,16,19-20H,2-7,12-15H2,1H3/b21-16?,24-23-
InChIKeyDQCDXIXYSXBDGT-PMAREGJYSA-N
XLogP5.93
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 55.93
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-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3896653
3-cyclohexyl-2-cyclohexylimino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3911629
(2E,5Z)-3-cyclohexyl-5-[(2-methylphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842436
3-cyclohexyl-2-cyclohexylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 3946456
(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126114379
3-cyclohexyl-2-cyclohexylimino-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3294511
3-cyclohexyl-2-cyclohexylimino-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 3447540
3-cyclohexyl-2-cyclohexylimino-5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 4273627
3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4017105
3-cyclohexyl-2-cyclohexylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 4693551
3-cyclohexyl-2-cyclohexylimino-5-[[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 5095072
5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 5025668

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 3672696) is 3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccccc1C=C1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DQCDXIXYSXBDGT-PMAREGJYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-17-10-8-9-11-18(17)16-21-22(26)25(20-14-6-3-7-15-20)23(27-21)24-19-12-4-2-5-13-19/h8-11,16,19-20H,2-7,12-15H2,1H3/b21-16?,24-23-.
What are the key properties of 3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 382.57 g/mol, XLogP of 5.93, 3 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-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3672696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).