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

C22H26BrN3O2S — CID 45145142

IUPACN-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.COc1ccc(-c2cs/c(=N\c3cccc(C)c3C)n2N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O2S.BrH/c1-16-5-4-6-20(17(16)2)23-22-25(24-11-13-27-14-12-24)21(15-28-22)18-7-9-19(26-3)10-8-18;/h4-10,15H,11-14H2,1-3H3;1H/b23-22-;
InChIKeyBGCPIPDURPAPBG-YJACDMIVSA-N
MW476.44 g/mol
LogP4.62
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide (PubChem CID 45145142) has the molecular formula C22H26BrN3O2S and a molecular weight of 476.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
PubChem CID45145142
Molecular FormulaC22H26BrN3O2S
Molecular Weight476.44 g/mol
Exact Mass475.09
IUPAC NameN-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.COc1ccc(-c2cs/c(=N\c3cccc(C)c3C)n2N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O2S.BrH/c1-16-5-4-6-20(17(16)2)23-22-25(24-11-13-27-14-12-24)21(15-28-22)18-7-9-19(26-3)10-8-18;/h4-10,15H,11-14H2,1-3H3;1H/b23-22-;
InChIKeyBGCPIPDURPAPBG-YJACDMIVSA-N
XLogP4.62
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide (CID 45145142) is N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide is Br.COc1ccc(-c2cs/c(=N\c3cccc(C)c3C)n2N2CCOCC2)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is BGCPIPDURPAPBG-YJACDMIVSA-N. The full InChI is InChI=1S/C22H25N3O2S.BrH/c1-16-5-4-6-20(17(16)2)23-22-25(24-11-13-27-14-12-24)21(15-28-22)18-7-9-19(26-3)10-8-18;/h4-10,15H,11-14H2,1-3H3;1H/b23-22-;.
What are the key properties of N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 476.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 45145142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).