N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide

C22H26BrN3OS — CID 18576866

IUPACN-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.Cc1ccc(-c2cs/c(=N\c3ccc(C)c(C)c3)n2N2CCOCC2)cc1
InChIInChI=1S/C22H25N3OS.BrH/c1-16-4-7-19(8-5-16)21-15-27-22(25(21)24-10-12-26-13-11-24)23-20-9-6-17(2)18(3)14-20;/h4-9,14-15H,10-13H2,1-3H3;1H/b23-22-;
InChIKeySSQQPJUYSOQEFO-YJACDMIVSA-N
MW460.44 g/mol
LogP4.92
Rot. Bonds3

About N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide

N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide (PubChem CID 18576866) has the molecular formula C22H26BrN3OS and a molecular weight of 460.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
PubChem CID18576866
Molecular FormulaC22H26BrN3OS
Molecular Weight460.44 g/mol
Exact Mass459.10
IUPAC NameN-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.Cc1ccc(-c2cs/c(=N\c3ccc(C)c(C)c3)n2N2CCOCC2)cc1
InChIInChI=1S/C22H25N3OS.BrH/c1-16-4-7-19(8-5-16)21-15-27-22(25(21)24-10-12-26-13-11-24)23-20-9-6-17(2)18(3)14-20;/h4-9,14-15H,10-13H2,1-3H3;1H/b23-22-;
InChIKeySSQQPJUYSOQEFO-YJACDMIVSA-N
XLogP4.92
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide (CID 18576866) is N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide is Br.Cc1ccc(-c2cs/c(=N\c3ccc(C)c(C)c3)n2N2CCOCC2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is SSQQPJUYSOQEFO-YJACDMIVSA-N. The full InChI is InChI=1S/C22H25N3OS.BrH/c1-16-4-7-19(8-5-16)21-15-27-22(25(21)24-10-12-26-13-11-24)23-20-9-6-17(2)18(3)14-20;/h4-9,14-15H,10-13H2,1-3H3;1H/b23-22-;.
What are the key properties of N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 460.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 18576866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).