[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol

C11H14ClN3O3S2 — CID 61052306

IUPAC[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCCCC1CO
InChIInChI=1S/C11H14ClN3O3S2/c12-9-10(14-5-6-19-11(14)13-9)20(17,18)15-4-2-1-3-8(15)7-16/h5-6,8,16H,1-4,7H2
InChIKeyRUNUXVHPWIZFOT-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.58
Rot. Bonds3

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

[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol (PubChem CID 61052306) has the molecular formula C11H14ClN3O3S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is [1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol
PubChem CID61052306
Molecular FormulaC11H14ClN3O3S2
Molecular Weight335.84 g/mol
Exact Mass335.02
IUPAC Name[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol
SMILESO=S(=O)(c1c(Cl)nc2sccn12)N1CCCCC1CO
InChIInChI=1S/C11H14ClN3O3S2/c12-9-10(14-5-6-19-11(14)13-9)20(17,18)15-4-2-1-3-8(15)7-16/h5-6,8,16H,1-4,7H2
InChIKeyRUNUXVHPWIZFOT-UHFFFAOYSA-N
XLogP1.58
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol (CID 61052306) is [1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol is O=S(=O)(c1c(Cl)nc2sccn12)N1CCCCC1CO.
What is the InChIKey of [1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is RUNUXVHPWIZFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S2/c12-9-10(14-5-6-19-11(14)13-9)20(17,18)15-4-2-1-3-8(15)7-16/h5-6,8,16H,1-4,7H2.
What are the key properties of [1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol?
[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 335.84 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 61052306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).