3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine

C24H26N2OS — CID 624784

IUPAC3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccccc3)n2CCC2=CCCCC2)cc1
InChIInChI=1S/C24H26N2OS/c1-27-22-14-12-21(13-15-22)25-24-26(17-16-19-8-4-2-5-9-19)23(18-28-24)20-10-6-3-7-11-20/h3,6-8,10-15,18H,2,4-5,9,16-17H2,1H3/b25-24-
InChIKeyGWJSIKQXXBNAIJ-IZHYLOQSSA-N
MW390.55 g/mol
LogP6.35
Rot. Bonds6

About 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine

3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 624784) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID624784
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccccc3)n2CCC2=CCCCC2)cc1
InChIInChI=1S/C24H26N2OS/c1-27-22-14-12-21(13-15-22)25-24-26(17-16-19-8-4-2-5-9-19)23(18-28-24)20-10-6-3-7-11-20/h3,6-8,10-15,18H,2,4-5,9,16-17H2,1H3/b25-24-
InChIKeyGWJSIKQXXBNAIJ-IZHYLOQSSA-N
XLogP6.35
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 17365720
N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
CID 18812697
N-(4-methoxyphenyl)-3-(2-phenylethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812740
4-(3-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23820892
4-(4-bromophenyl)-N-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-imine
CID 3970172
3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 163332770
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
3-[2-(cyclohexen-1-yl)ethyl]-4-methyl-N-(2-methylphenyl)-1,3-thiazol-2-imine
CID 23908683
4-(3-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23850910
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 8715499
2-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide
CID 21178881
N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 18812826

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine (CID 624784) is 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccccc3)n2CCC2=CCCCC2)cc1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is GWJSIKQXXBNAIJ-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-27-22-14-12-21(13-15-22)25-24-26(17-16-19-8-4-2-5-9-19)23(18-28-24)20-10-6-3-7-11-20/h3,6-8,10-15,18H,2,4-5,9,16-17H2,1H3/b25-24-.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine?
3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 390.55 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl]-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 624784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).