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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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).