6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide

C18H17BrN2OS — CID 16682256

IUPAC6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
SMILESCOc1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1.[Br-]
InChIInChI=1S/C18H17N2OS.BrH/c1-21-16-9-7-14(8-10-16)17-13-19-11-12-22-18(19)20(17)15-5-3-2-4-6-15;/h2-10,13H,11-12H2,1H3;1H/q+1;/p-1
InChIKeyQESFELWDTBTQAN-UHFFFAOYSA-M
MW389.32 g/mol
LogP0.55
Rot. Bonds3

About 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide

6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide (PubChem CID 16682256) has the molecular formula C18H17BrN2OS and a molecular weight of 389.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
PubChem CID16682256
Molecular FormulaC18H17BrN2OS
Molecular Weight389.32 g/mol
Exact Mass388.02
IUPAC Name6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
SMILESCOc1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1.[Br-]
InChIInChI=1S/C18H17N2OS.BrH/c1-21-16-9-7-14(8-10-16)17-13-19-11-12-22-18(19)20(17)15-5-3-2-4-6-15;/h2-10,13H,11-12H2,1H3;1H/q+1;/p-1
InChIKeyQESFELWDTBTQAN-UHFFFAOYSA-M
XLogP0.55
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 50.55
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
The IUPAC name of 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide (CID 16682256) is 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide.
What is the SMILES notation for 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
The canonical SMILES for 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide is COc1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1.[Br-].
What is the InChIKey of 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
The InChIKey is QESFELWDTBTQAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17N2OS.BrH/c1-21-16-9-7-14(8-10-16)17-13-19-11-12-22-18(19)20(17)15-5-3-2-4-6-15;/h2-10,13H,11-12H2,1H3;1H/q+1;/p-1.
What are the key properties of 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide has a molecular weight of 389.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide is sourced from PubChem (CID 16682256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).