2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine

C20H23ClN4O3S2 — CID 24865933

IUPAC2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(CS(=O)(=O)c2c(Cl)nc3sccn23)[nH]c2ccccc12
InChIInChI=1S/C20H23ClN4O3S2/c1-3-24(4-2)9-11-28-17-14-7-5-6-8-15(14)22-16(17)13-30(26,27)19-18(21)23-20-25(19)10-12-29-20/h5-8,10,12,22H,3-4,9,11,13H2,1-2H3
InChIKeyFOIOFYWJMSRUFA-UHFFFAOYSA-N
MW467.02 g/mol
LogP4.22
Rot. Bonds9

About 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine

2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine (PubChem CID 24865933) has the molecular formula C20H23ClN4O3S2 and a molecular weight of 467.02 g/mol. Its IUPAC name is 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine
PubChem CID24865933
Molecular FormulaC20H23ClN4O3S2
Molecular Weight467.02 g/mol
Exact Mass466.09
IUPAC Name2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(CS(=O)(=O)c2c(Cl)nc3sccn23)[nH]c2ccccc12
InChIInChI=1S/C20H23ClN4O3S2/c1-3-24(4-2)9-11-28-17-14-7-5-6-8-15(14)22-16(17)13-30(26,27)19-18(21)23-20-25(19)10-12-29-20/h5-8,10,12,22H,3-4,9,11,13H2,1-2H3
InChIKeyFOIOFYWJMSRUFA-UHFFFAOYSA-N
XLogP4.22
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.02
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine (CID 24865933) is 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine is CCN(CC)CCOc1c(CS(=O)(=O)c2c(Cl)nc3sccn23)[nH]c2ccccc12.
What is the InChIKey of 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine?
The InChIKey is FOIOFYWJMSRUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S2/c1-3-24(4-2)9-11-28-17-14-7-5-6-8-15(14)22-16(17)13-30(26,27)19-18(21)23-20-25(19)10-12-29-20/h5-8,10,12,22H,3-4,9,11,13H2,1-2H3.
What are the key properties of 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine?
2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine has a molecular weight of 467.02 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-1H-indol-3-yl]oxy]-N,N-diethylethanamine is sourced from PubChem (CID 24865933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).