2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine

C20H23ClN4O3S2 — CID 24989089

IUPAC2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(C)n(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12
InChIInChI=1S/C20H23ClN4O3S2/c1-4-23(5-2)10-12-28-17-14(3)25(16-9-7-6-8-15(16)17)30(26,27)19-18(21)22-20-24(19)11-13-29-20/h6-9,11,13H,4-5,10,12H2,1-3H3
InChIKeyUEXHSXOIRTUDPJ-UHFFFAOYSA-N
MW467.02 g/mol
LogP4.27
Rot. Bonds8

About 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine

2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine (PubChem CID 24989089) has the molecular formula C20H23ClN4O3S2 and a molecular weight of 467.02 g/mol. Its IUPAC name is 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine
PubChem CID24989089
Molecular FormulaC20H23ClN4O3S2
Molecular Weight467.02 g/mol
Exact Mass466.09
IUPAC Name2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(C)n(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12
InChIInChI=1S/C20H23ClN4O3S2/c1-4-23(5-2)10-12-28-17-14(3)25(16-9-7-6-8-15(16)17)30(26,27)19-18(21)22-20-24(19)11-13-29-20/h6-9,11,13H,4-5,10,12H2,1-3H3
InChIKeyUEXHSXOIRTUDPJ-UHFFFAOYSA-N
XLogP4.27
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.02
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine?
The IUPAC name of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine (CID 24989089) is 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine?
The canonical SMILES for 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine is CCN(CC)CCOc1c(C)n(S(=O)(=O)c2c(Cl)nc3sccn23)c2ccccc12.
What is the InChIKey of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine?
The InChIKey is UEXHSXOIRTUDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S2/c1-4-23(5-2)10-12-28-17-14(3)25(16-9-7-6-8-15(16)17)30(26,27)19-18(21)22-20-24(19)11-13-29-20/h6-9,11,13H,4-5,10,12H2,1-3H3.
What are the key properties of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine?
2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine has a molecular weight of 467.02 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 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-2-methylindol-3-yl]oxy-N,N-diethylethanamine is sourced from PubChem (CID 24989089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).