5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide

C18H18BrN2OS+ — CID 126956905

IUPAC5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide
SMILESBr.COc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1
InChIInChI=1S/C18H17N2OS.BrH/c1-21-16-9-7-14(8-10-16)17-13-20(15-5-3-2-4-6-15)18-19(17)11-12-22-18;/h2-10,13H,11-12H2,1H3;1H/q+1;
InChIKeyMZUKPFKYRPXKFS-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.12
Rot. Bonds3

About 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide

5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide (PubChem CID 126956905) has the molecular formula C18H18BrN2OS+ and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide
PubChem CID126956905
Molecular FormulaC18H18BrN2OS+
Molecular Weight390.33 g/mol
Exact Mass389.03
IUPAC Name5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide
SMILESBr.COc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1
InChIInChI=1S/C18H17N2OS.BrH/c1-21-16-9-7-14(8-10-16)17-13-20(15-5-3-2-4-6-15)18-19(17)11-12-22-18;/h2-10,13H,11-12H2,1H3;1H/q+1;
InChIKeyMZUKPFKYRPXKFS-UHFFFAOYSA-N
XLogP4.12
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium bromide
CID 15504506
7-(4-bromophenyl)-5-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 12005867
5-(4-chlorophenyl)-7-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 45145335
3-(4-methoxyphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium;hydrobromide
CID 126958144
3-(4-methoxyphenyl)-1,4-diphenylpyrrole
CID 102125603
3-(4-chlorophenyl)-1-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide
CID 15885889
1-benzyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium
CID 4651823
1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium
CID 12925199
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol
CID 90687245
1-(4-ethoxyphenyl)-3-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepin-4-ium
CID 163409445
3-amino-4-(4-methoxyphenyl)-1-phenylpyridin-2-one
CID 141318946

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide?
The IUPAC name of 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide (CID 126956905) is 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide?
The canonical SMILES for 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide is Br.COc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide?
The InChIKey is MZUKPFKYRPXKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2OS.BrH/c1-21-16-9-7-14(8-10-16)17-13-20(15-5-3-2-4-6-15)18-19(17)11-12-22-18;/h2-10,13H,11-12H2,1H3;1H/q+1;.
What are the key properties of 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide?
5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide has a molecular weight of 390.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium;hydrobromide is sourced from PubChem (CID 126956905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).