6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide

C17H15BrN2S — CID 16682254

IUPAC6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
SMILES[Br-].c1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1
InChIInChI=1S/C17H15N2S.BrH/c1-3-7-14(8-4-1)16-13-18-11-12-20-17(18)19(16)15-9-5-2-6-10-15;/h1-10,13H,11-12H2;1H/q+1;/p-1
InChIKeyRBONHSSHAICNQY-UHFFFAOYSA-M
MW359.29 g/mol
LogP0.54
Rot. Bonds2

About 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide

6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide (PubChem CID 16682254) has the molecular formula C17H15BrN2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide.

Molecular Properties

Compound Name6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
PubChem CID16682254
Molecular FormulaC17H15BrN2S
Molecular Weight359.29 g/mol
Exact Mass358.01
IUPAC Name6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
SMILES[Br-].c1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1
InChIInChI=1S/C17H15N2S.BrH/c1-3-7-14(8-4-1)16-13-18-11-12-20-17(18)19(16)15-9-5-2-6-10-15;/h1-10,13H,11-12H2;1H/q+1;/p-1
InChIKeyRBONHSSHAICNQY-UHFFFAOYSA-M
XLogP0.54
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
The IUPAC name of 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide (CID 16682254) is 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide.
What is the SMILES notation for 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
The canonical SMILES for 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide is [Br-].c1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1.
What is the InChIKey of 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
The InChIKey is RBONHSSHAICNQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15N2S.BrH/c1-3-7-14(8-4-1)16-13-18-11-12-20-17(18)19(16)15-9-5-2-6-10-15;/h1-10,13H,11-12H2;1H/q+1;/p-1.
What are the key properties of 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide has a molecular weight of 359.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide is sourced from PubChem (CID 16682254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).