3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine

C17H22N2S — CID 10565165

IUPAC3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine
SMILESC=CC1CN(C2CCCCC2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C17H22N2S/c1-2-16-13-19(15-11-7-4-8-12-15)17(20-16)18-14-9-5-3-6-10-14/h2-3,5-6,9-10,15-16H,1,4,7-8,11-13H2/b18-17-
InChIKeyURFQFFRFXUXBKE-ZCXUNETKSA-N
MW286.44 g/mol
LogP4.61
Rot. Bonds3

About 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine

3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine (PubChem CID 10565165) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine
PubChem CID10565165
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine
SMILESC=CC1CN(C2CCCCC2)/C(=N/c2ccccc2)S1
InChIInChI=1S/C17H22N2S/c1-2-16-13-19(15-11-7-4-8-12-15)17(20-16)18-14-9-5-3-6-10-14/h2-3,5-6,9-10,15-16H,1,4,7-8,11-13H2/b18-17-
InChIKeyURFQFFRFXUXBKE-ZCXUNETKSA-N
XLogP4.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine
CID 102041860
(5E)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-3-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 50854868
5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3742421
(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290095
(5Z)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6253250
methyl 3-cyclohexyl-2-(4-nitrophenyl)imino-1,3-thiazinane-6-carboxylate
CID 10452215
5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5166618
(5Z)-3-cyclohexyl-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 96883789
(5Z)-3-cyclohexyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-phenylimino-1,3-thiazolidin-4-one
CID 126124372
(3S)-N,1-dicyclohexyl-3-phenylazetidin-2-imine
CID 100941437
(1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane
CID 159097168
3-(cyclohexylmethyl)-4,5-dihydroxy-2-phenylimino-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-7-carboxamide
CID 73147960

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine (CID 10565165) is 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine is C=CC1CN(C2CCCCC2)/C(=N/c2ccccc2)S1.
What is the InChIKey of 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is URFQFFRFXUXBKE-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-16-13-19(15-11-7-4-8-12-15)17(20-16)18-14-9-5-3-6-10-14/h2-3,5-6,9-10,15-16H,1,4,7-8,11-13H2/b18-17-.
What are the key properties of 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine?
3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 286.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-ethenyl-N-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 10565165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).