2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine

C15H12BrClN4O2S2 — CID 10195297

IUPAC2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccc(Br)cc12
InChIInChI=1S/C15H12BrClN4O2S2/c16-10-1-2-12-11(7-10)9(3-4-18)8-21(12)25(22,23)14-13(17)19-15-20(14)5-6-24-15/h1-2,5-8H,3-4,18H2
InChIKeySBHOLLTVFWOGAI-UHFFFAOYSA-N
MW459.78 g/mol
LogP3.50
Rot. Bonds4

About 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine

2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine (PubChem CID 10195297) has the molecular formula C15H12BrClN4O2S2 and a molecular weight of 459.78 g/mol. Its IUPAC name is 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
PubChem CID10195297
Molecular FormulaC15H12BrClN4O2S2
Molecular Weight459.78 g/mol
Exact Mass457.93
IUPAC Name2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccc(Br)cc12
InChIInChI=1S/C15H12BrClN4O2S2/c16-10-1-2-12-11(7-10)9(3-4-18)8-21(12)25(22,23)14-13(17)19-15-20(14)5-6-24-15/h1-2,5-8H,3-4,18H2
InChIKeySBHOLLTVFWOGAI-UHFFFAOYSA-N
XLogP3.50
TPSA82.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine
CID 10238981
3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine
CID 23502991
6-chloro-5-(3-propylindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 142258434
3-(2-bromoethyl)-1H-indole;5-[3-(2-bromoethyl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole;6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride;methane
CID 161078198
6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole
CID 141196349
1-[2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethyl]pyrrolidine-2-carboxylic acid
CID 10195602
6-chloro-N-(2,5-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047006
2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
7-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N,N-dimethyl-3,4-dihydro-2H-thiopyrano[2,3-e]indol-2-amine
CID 11396830
N-(4-bromo-3-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65438087
N-(2-bromo-4-fluorophenyl)-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60814310
methyl 4-[5-chloro-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-2-yl]butanoate
CID 142783950

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine?
The IUPAC name of 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine (CID 10195297) is 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine?
The canonical SMILES for 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccc(Br)cc12.
What is the InChIKey of 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine?
The InChIKey is SBHOLLTVFWOGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4O2S2/c16-10-1-2-12-11(7-10)9(3-4-18)8-21(12)25(22,23)14-13(17)19-15-20(14)5-6-24-15/h1-2,5-8H,3-4,18H2.
What are the key properties of 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine?
2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine has a molecular weight of 459.78 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine is sourced from PubChem (CID 10195297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).