methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate

C11H12ClN3O4S2 — CID 78926070

IUPACmethyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)C1
InChIInChI=1S/C11H12ClN3O4S2/c1-19-10(16)7-2-3-14(6-7)21(17,18)9-8(12)13-11-15(9)4-5-20-11/h4-5,7H,2-3,6H2,1H3
InChIKeyIRVSYAQJISKFTD-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.23
Rot. Bonds3

About methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate

methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate (PubChem CID 78926070) has the molecular formula C11H12ClN3O4S2 and a molecular weight of 349.82 g/mol. Its IUPAC name is methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate
PubChem CID78926070
Molecular FormulaC11H12ClN3O4S2
Molecular Weight349.82 g/mol
Exact Mass349.00
IUPAC Namemethyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)C1
InChIInChI=1S/C11H12ClN3O4S2/c1-19-10(16)7-2-3-14(6-7)21(17,18)9-8(12)13-11-15(9)4-5-20-11/h4-5,7H,2-3,6H2,1H3
InChIKeyIRVSYAQJISKFTD-UHFFFAOYSA-N
XLogP1.23
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate (CID 78926070) is methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)C1.
What is the InChIKey of methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate?
The InChIKey is IRVSYAQJISKFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4S2/c1-19-10(16)7-2-3-14(6-7)21(17,18)9-8(12)13-11-15(9)4-5-20-11/h4-5,7H,2-3,6H2,1H3.
What are the key properties of methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate?
methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate has a molecular weight of 349.82 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidine-3-carboxylate is sourced from PubChem (CID 78926070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).