N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide

C22H26BrN3O2S — CID 18576875

IUPACN-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.COc1ccc(-c2cs/c(=N\c3cc(C)ccc3C)n2N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O2S.BrH/c1-16-4-5-17(2)20(14-16)23-22-25(24-10-12-27-13-11-24)21(15-28-22)18-6-8-19(26-3)9-7-18;/h4-9,14-15H,10-13H2,1-3H3;1H/b23-22-;
InChIKeyQKPMIHSMCHNNDF-YJACDMIVSA-N
MW476.44 g/mol
LogP4.62
Rot. Bonds4

About N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide

N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide (PubChem CID 18576875) has the molecular formula C22H26BrN3O2S and a molecular weight of 476.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
PubChem CID18576875
Molecular FormulaC22H26BrN3O2S
Molecular Weight476.44 g/mol
Exact Mass475.09
IUPAC NameN-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.COc1ccc(-c2cs/c(=N\c3cc(C)ccc3C)n2N2CCOCC2)cc1
InChIInChI=1S/C22H25N3O2S.BrH/c1-16-4-5-17(2)20(14-16)23-22-25(24-10-12-27-13-11-24)21(15-28-22)18-6-8-19(26-3)9-7-18;/h4-9,14-15H,10-13H2,1-3H3;1H/b23-22-;
InChIKeyQKPMIHSMCHNNDF-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-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide (CID 18576875) is N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide is Br.COc1ccc(-c2cs/c(=N\c3cc(C)ccc3C)n2N2CCOCC2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is QKPMIHSMCHNNDF-YJACDMIVSA-N. The full InChI is InChI=1S/C22H25N3O2S.BrH/c1-16-4-5-17(2)20(14-16)23-22-25(24-10-12-27-13-11-24)21(15-28-22)18-6-8-19(26-3)9-7-18;/h4-9,14-15H,10-13H2,1-3H3;1H/b23-22-;.
What are the key properties of N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide?
N-(2,5-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-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 18576875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).