5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine

C11H16N4O3S2 — CID 62145336

IUPAC5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOC1CCN(S(=O)(=O)c2c(N)nc3sccn23)CC1
InChIInChI=1S/C11H16N4O3S2/c1-18-8-2-4-14(5-3-8)20(16,17)10-9(12)13-11-15(10)6-7-19-11/h6-8H,2-5,12H2,1H3
InChIKeyJLRNPZZDDVBWTB-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.78
Rot. Bonds3

About 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine

5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 62145336) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID62145336
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC Name5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOC1CCN(S(=O)(=O)c2c(N)nc3sccn23)CC1
InChIInChI=1S/C11H16N4O3S2/c1-18-8-2-4-14(5-3-8)20(16,17)10-9(12)13-11-15(10)6-7-19-11/h6-8H,2-5,12H2,1H3
InChIKeyJLRNPZZDDVBWTB-UHFFFAOYSA-N
XLogP0.78
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine (CID 62145336) is 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine is COC1CCN(S(=O)(=O)c2c(N)nc3sccn23)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is JLRNPZZDDVBWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c1-18-8-2-4-14(5-3-8)20(16,17)10-9(12)13-11-15(10)6-7-19-11/h6-8H,2-5,12H2,1H3.
What are the key properties of 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 316.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 62145336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).