3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide

C24H23BrN2OS — CID 163332770

IUPAC3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2OS.BrH/c1-18-8-10-20(11-9-18)23-17-28-24(25-21-12-14-22(27-2)15-13-21)26(23)16-19-6-4-3-5-7-19;/h3-15,17H,16H2,1-2H3;1H/b25-24-;
InChIKeyZEEUBUMCHXESQI-BJFQDICYSA-N
MW467.43 g/mol
LogP6.39
Rot. Bonds5

About 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide

3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide (PubChem CID 163332770) has the molecular formula C24H23BrN2OS and a molecular weight of 467.43 g/mol. Its IUPAC name is 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound Name3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
PubChem CID163332770
Molecular FormulaC24H23BrN2OS
Molecular Weight467.43 g/mol
Exact Mass466.07
IUPAC Name3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2OS.BrH/c1-18-8-10-20(11-9-18)23-17-28-24(25-21-12-14-22(27-2)15-13-21)26(23)16-19-6-4-3-5-7-19;/h3-15,17H,16H2,1-2H3;1H/b25-24-;
InChIKeyZEEUBUMCHXESQI-BJFQDICYSA-N
XLogP6.39
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.43
LogP ≤ 56.39
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

N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
3-benzyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 90484760
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740492
N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
CID 18812697
4-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23737102
N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 18812826
N-(4-methoxyphenyl)-3-(2-phenylethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812740
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
2-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol bromide
CID 21178881
3-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 1017711
3-benzyl-4-methyl-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 45125354
N,N-dimethyl-4-[2-(4-methylphenyl)imino-3-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 18813258

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide (CID 163332770) is 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide is Br.COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is ZEEUBUMCHXESQI-BJFQDICYSA-N. The full InChI is InChI=1S/C24H22N2OS.BrH/c1-18-8-10-20(11-9-18)23-17-28-24(25-21-12-14-22(27-2)15-13-21)26(23)16-19-6-4-3-5-7-19;/h3-15,17H,16H2,1-2H3;1H/b25-24-;.
What are the key properties of 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide?
3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 467.43 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 163332770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).