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

C22H19ClN4O3S2 — CID 10238981

IUPAC2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H19ClN4O3S2/c23-20-21(26-10-11-31-22(26)25-20)32(28,29)27-13-16(8-9-24)18-12-17(6-7-19(18)27)30-14-15-4-2-1-3-5-15/h1-7,10-13H,8-9,14,24H2
InChIKeyGHHGZAWPOONRTQ-UHFFFAOYSA-N
MW487.01 g/mol
LogP4.32
Rot. Bonds7

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

2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine (PubChem CID 10238981) has the molecular formula C22H19ClN4O3S2 and a molecular weight of 487.01 g/mol. Its IUPAC name is 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine
PubChem CID10238981
Molecular FormulaC22H19ClN4O3S2
Molecular Weight487.01 g/mol
Exact Mass486.06
IUPAC Name2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H19ClN4O3S2/c23-20-21(26-10-11-31-22(26)25-20)32(28,29)27-13-16(8-9-24)18-12-17(6-7-19(18)27)30-14-15-4-2-1-3-5-15/h1-7,10-13H,8-9,14,24H2
InChIKeyGHHGZAWPOONRTQ-UHFFFAOYSA-N
XLogP4.32
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.01
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 141072483
2-[5-bromo-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
CID 10195297
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
1-[2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethyl]pyrrolidine-2-carboxylic acid
CID 10195602
2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 59176261
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
3-[5-chloro-1-[3-(2-fluoro-4-phenylmethoxyphenyl)phenyl]sulfonylindol-3-yl]propanoic acid
CID 25066793
2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 86583593
1-[2-[3-(2-aminoethyl)-5-phenylmethoxyindol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 70053002
tert-butyl N-[2-[1-(4-methylphenyl)sulfonyl-5-phenylmethoxyindol-3-yl]ethyl]-N-[2-[1-(4-methylphenyl)sulfonyl-5-phenylmethoxyindol-3-yl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate
CID 102359411

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine (CID 10238981) is 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine?
The InChIKey is GHHGZAWPOONRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S2/c23-20-21(26-10-11-31-22(26)25-20)32(28,29)27-13-16(8-9-24)18-12-17(6-7-19(18)27)30-14-15-4-2-1-3-5-15/h1-7,10-13H,8-9,14,24H2.
What are the key properties of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine?
2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine has a molecular weight of 487.01 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine is sourced from PubChem (CID 10238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).