3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

C28H33N3S — CID 3297229

IUPAC3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H33N3S/c1-20(2)18-29-28-31(27(19-32-28)26-12-10-21(3)11-13-26)30-22(4)23-14-16-25(17-15-23)24-8-6-5-7-9-24/h10-17,19,24H,1,5-9,18H2,2-4H3/b29-28-,30-22?
InChIKeyJRGWBLDSWVCQMO-PDKOYKQMSA-N
MW443.66 g/mol
LogP7.32
Rot. Bonds6

About 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (PubChem CID 3297229) has the molecular formula C28H33N3S and a molecular weight of 443.66 g/mol. Its IUPAC name is 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
PubChem CID3297229
Molecular FormulaC28H33N3S
Molecular Weight443.66 g/mol
Exact Mass443.24
IUPAC Name3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H33N3S/c1-20(2)18-29-28-31(27(19-32-28)26-12-10-21(3)11-13-26)30-22(4)23-14-16-25(17-15-23)24-8-6-5-7-9-24/h10-17,19,24H,1,5-9,18H2,2-4H3/b29-28-,30-22?
InChIKeyJRGWBLDSWVCQMO-PDKOYKQMSA-N
XLogP7.32
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.66
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[1-(4-methylphenyl)ethylideneamino]-N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23767388
3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23905208
4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135681328
3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
CID 23798776
N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23991458
N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23799743
4-[[4-(4-cyclohexylphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135713289
N-ethyl-3-[1-(5-methylfuran-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 4014518
2-methoxy-5-[[4-(4-methylphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 23964685
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
4-[[4-(4-cyclohexylphenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 2456857
4-[N-[2-ethylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135822977

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (CID 3297229) is 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The InChIKey is JRGWBLDSWVCQMO-PDKOYKQMSA-N. The full InChI is InChI=1S/C28H33N3S/c1-20(2)18-29-28-31(27(19-32-28)26-12-10-21(3)11-13-26)30-22(4)23-14-16-25(17-15-23)24-8-6-5-7-9-24/h10-17,19,24H,1,5-9,18H2,2-4H3/b29-28-,30-22?.
What are the key properties of 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine has a molecular weight of 443.66 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3297229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).