2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine

C16H16ClN5O2S2 — CID 59176261

IUPAC2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc12
InChIInChI=1S/C16H16ClN5O2S2/c1-20(2)7-5-11-10-22(12-4-3-6-18-13(11)12)26(23,24)15-14(17)19-16-21(15)8-9-25-16/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyABIBLMPFGRONSY-UHFFFAOYSA-N
MW409.92 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine

2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine (PubChem CID 59176261) has the molecular formula C16H16ClN5O2S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine
PubChem CID59176261
Molecular FormulaC16H16ClN5O2S2
Molecular Weight409.92 g/mol
Exact Mass409.04
IUPAC Name2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc12
InChIInChI=1S/C16H16ClN5O2S2/c1-20(2)7-5-11-10-22(12-4-3-6-18-13(11)12)26(23,24)15-14(17)19-16-21(15)8-9-25-16/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyABIBLMPFGRONSY-UHFFFAOYSA-N
XLogP2.74
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 52.74
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)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine (CID 59176261) is 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine is CN(C)CCc1cn(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc12.
What is the InChIKey of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine?
The InChIKey is ABIBLMPFGRONSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S2/c1-20(2)7-5-11-10-22(12-4-3-6-18-13(11)12)26(23,24)15-14(17)19-16-21(15)8-9-25-16/h3-4,6,8-10H,5,7H2,1-2H3.
What are the key properties of 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine?
2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine has a molecular weight of 409.92 g/mol, XLogP of 2.74, 5 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)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 59176261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).