4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine

C31H34N2OS — CID 138392853

IUPAC4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(C4CCCCC4)cc3)n2CCc2ccccc2)cc1
InChIInChI=1S/C31H34N2OS/c1-2-34-29-19-17-28(18-20-29)32-31-33(22-21-24-9-5-3-6-10-24)30(23-35-31)27-15-13-26(14-16-27)25-11-7-4-8-12-25/h3,5-6,9-10,13-20,23,25H,2,4,7-8,11-12,21-22H2,1H3/b32-31-
InChIKeyKKKAPBBVSZDDFM-MVJHLKBCSA-N
MW482.69 g/mol
LogP8.14
Rot. Bonds8

About 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine

4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine (PubChem CID 138392853) has the molecular formula C31H34N2OS and a molecular weight of 482.69 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
PubChem CID138392853
Molecular FormulaC31H34N2OS
Molecular Weight482.69 g/mol
Exact Mass482.24
IUPAC Name4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(C4CCCCC4)cc3)n2CCc2ccccc2)cc1
InChIInChI=1S/C31H34N2OS/c1-2-34-29-19-17-28(18-20-29)32-31-33(22-21-24-9-5-3-6-10-24)30(23-35-31)27-15-13-26(14-16-27)25-11-7-4-8-12-25/h3,5-6,9-10,13-20,23,25H,2,4,7-8,11-12,21-22H2,1H3/b32-31-
InChIKeyKKKAPBBVSZDDFM-MVJHLKBCSA-N
XLogP8.14
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyclohexylphenyl)-N-(4-fluorophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 90484814
4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
CID 138392669
N-(4-methoxyphenyl)-3-(2-phenylethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812740
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288
2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine
CID 44761853
N-(4-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392914
4-[[4-(4-cyclohexylphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23995758
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 3980869
N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5229362
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide;hydrobromide
CID 90484804

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine (CID 138392853) is 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc(C4CCCCC4)cc3)n2CCc2ccccc2)cc1.
What is the InChIKey of 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
The InChIKey is KKKAPBBVSZDDFM-MVJHLKBCSA-N. The full InChI is InChI=1S/C31H34N2OS/c1-2-34-29-19-17-28(18-20-29)32-31-33(22-21-24-9-5-3-6-10-24)30(23-35-31)27-15-13-26(14-16-27)25-11-7-4-8-12-25/h3,5-6,9-10,13-20,23,25H,2,4,7-8,11-12,21-22H2,1H3/b32-31-.
What are the key properties of 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine?
4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine has a molecular weight of 482.69 g/mol, XLogP of 8.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138392853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).