1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol

C10H14N4O3S2 — CID 62153628

IUPAC1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol
SMILESNc1nc2sccn2c1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C10H14N4O3S2/c11-8-9(14-4-5-18-10(14)12-8)19(16,17)13-3-1-2-7(15)6-13/h4-5,7,15H,1-3,6,11H2
InChIKeyRYSQHZOBYINUQZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.12
Rot. Bonds2

About 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol

1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol (PubChem CID 62153628) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol
PubChem CID62153628
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol
SMILESNc1nc2sccn2c1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C10H14N4O3S2/c11-8-9(14-4-5-18-10(14)12-8)19(16,17)13-3-1-2-7(15)6-13/h4-5,7,15H,1-3,6,11H2
InChIKeyRYSQHZOBYINUQZ-UHFFFAOYSA-N
XLogP0.12
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol (CID 62153628) is 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol is Nc1nc2sccn2c1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol?
The InChIKey is RYSQHZOBYINUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c11-8-9(14-4-5-18-10(14)12-8)19(16,17)13-3-1-2-7(15)6-13/h4-5,7,15H,1-3,6,11H2.
What are the key properties of 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol?
1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol has a molecular weight of 302.38 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 62153628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).