5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide

C17H14BrClN2S — CID 15311784

IUPAC5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
SMILESClc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1.[Br-]
InChIInChI=1S/C17H14ClN2S.BrH/c18-14-8-6-13(7-9-14)16-12-20(15-4-2-1-3-5-15)17-19(16)10-11-21-17;/h1-9,12H,10-11H2;1H/q+1;/p-1
InChIKeyVFJNRBAOBGXGEA-UHFFFAOYSA-M
MW393.74 g/mol
LogP1.19
Rot. Bonds2

About 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide

5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide (PubChem CID 15311784) has the molecular formula C17H14BrClN2S and a molecular weight of 393.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
PubChem CID15311784
Molecular FormulaC17H14BrClN2S
Molecular Weight393.74 g/mol
Exact Mass391.97
IUPAC Name5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide
SMILESClc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1.[Br-]
InChIInChI=1S/C17H14ClN2S.BrH/c18-14-8-6-13(7-9-14)16-12-20(15-4-2-1-3-5-15)17-19(16)10-11-21-17;/h1-9,12H,10-11H2;1H/q+1;/p-1
InChIKeyVFJNRBAOBGXGEA-UHFFFAOYSA-M
XLogP1.19
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.74
LogP ≤ 51.19
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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Related Compounds

6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
6-Phenyl-2,3-dihydroimidazo(2,1-b)thiazole
CID 432820
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
1-(4-chlorobenzyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
CID 16682378
6-(4-Chlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 333033
6-(3-Chlorophenyl)-2-methylimidazo(2,1-b)(1,3)thiazole
CID 868206
7-Phenyl-6-p-tolyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
CID 16682235
2-[5-(4-Chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylpropanamide
CID 4779876
4-(p-Cl-Ph)-2[[2-[4-imidazolyl]Et]S]imidazole
CID 10402802
7-(4-fluorophenyl)-5-phenyl-3,7-dihydro-2H-imidazo[2,1-b]thiazol-4-ium bromide
CID 16194800
1,2-Diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682165
6,7-Diphenyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
CID 16682254

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
The IUPAC name of 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide (CID 15311784) is 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide.
What is the SMILES notation for 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
The canonical SMILES for 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide is Clc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1.[Br-].
What is the InChIKey of 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
The InChIKey is VFJNRBAOBGXGEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14ClN2S.BrH/c18-14-8-6-13(7-9-14)16-12-20(15-4-2-1-3-5-15)17-19(16)10-11-21-17;/h1-9,12H,10-11H2;1H/q+1;/p-1.
What are the key properties of 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide?
5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide has a molecular weight of 393.74 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium bromide is sourced from PubChem (CID 15311784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).