4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide

C23H20BrN2OS- — CID 21180197

IUPAC4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide
SMILESCOc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2-c2ccccc2)cc1.[Br-]
InChIInChI=1S/C23H20N2OS.BrH/c1-17-22(18-13-15-21(26-2)16-14-18)25(20-11-7-4-8-12-20)23(27-17)24-19-9-5-3-6-10-19;/h3-16H,1-2H3;1H/p-1/b24-23-;
InChIKeyPLCCYXJFNBRAND-DCXSSQDFSA-M
MW452.40 g/mol
LogP2.76
Rot. Bonds4

About 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide

4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide (PubChem CID 21180197) has the molecular formula C23H20BrN2OS- and a molecular weight of 452.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide
PubChem CID21180197
Molecular FormulaC23H20BrN2OS-
Molecular Weight452.40 g/mol
Exact Mass451.05
IUPAC Name4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide
SMILESCOc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2-c2ccccc2)cc1.[Br-]
InChIInChI=1S/C23H20N2OS.BrH/c1-17-22(18-13-15-21(26-2)16-14-18)25(20-11-7-4-8-12-20)23(27-17)24-19-9-5-3-6-10-19;/h3-16H,1-2H3;1H/p-1/b24-23-;
InChIKeyPLCCYXJFNBRAND-DCXSSQDFSA-M
XLogP2.76
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 52.76
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-methoxyphenyl)-5-methyl-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138393000
5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione
CID 57148854
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392904
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
4-(4-methoxyphenyl)-N,3,5-trimethyl-1,3-thiazol-2-imine
CID 31060825
3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
CID 70687827
4-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392953
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-phenylimino-1,3-thiazol-5-yl]benzamide
CID 51064788
3-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 764320
5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
CID 15356871
5-(4-methoxyphenyl)-2-methyl-4-phenyl-1,2,4-triazole-3-thione
CID 10709139

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide (CID 21180197) is 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide is COc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2-c2ccccc2)cc1.[Br-].
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide?
The InChIKey is PLCCYXJFNBRAND-DCXSSQDFSA-M. The full InChI is InChI=1S/C23H20N2OS.BrH/c1-17-22(18-13-15-21(26-2)16-14-18)25(20-11-7-4-8-12-20)23(27-17)24-19-9-5-3-6-10-19;/h3-16H,1-2H3;1H/p-1/b24-23-;.
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide?
4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide has a molecular weight of 452.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide is sourced from PubChem (CID 21180197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).