5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole

C14H20ClN3O2S2 — CID 58906102

IUPAC5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole
SMILESCCCCC1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1
InChIInChI=1S/C14H20ClN3O2S2/c1-2-3-4-11-5-7-17(8-6-11)22(19,20)13-12(15)16-14-18(13)9-10-21-14/h9-11H,2-8H2,1H3
InChIKeyZLCWUJUYDGUTDM-UHFFFAOYSA-N
MW361.92 g/mol
LogP3.64
Rot. Bonds5

About 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole

5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole (PubChem CID 58906102) has the molecular formula C14H20ClN3O2S2 and a molecular weight of 361.92 g/mol. Its IUPAC name is 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole
PubChem CID58906102
Molecular FormulaC14H20ClN3O2S2
Molecular Weight361.92 g/mol
Exact Mass361.07
IUPAC Name5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole
SMILESCCCCC1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1
InChIInChI=1S/C14H20ClN3O2S2/c1-2-3-4-11-5-7-17(8-6-11)22(19,20)13-12(15)16-14-18(13)9-10-21-14/h9-11H,2-8H2,1H3
InChIKeyZLCWUJUYDGUTDM-UHFFFAOYSA-N
XLogP3.64
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole (CID 58906102) is 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole is CCCCC1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1.
What is the InChIKey of 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole?
The InChIKey is ZLCWUJUYDGUTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S2/c1-2-3-4-11-5-7-17(8-6-11)22(19,20)13-12(15)16-14-18(13)9-10-21-14/h9-11H,2-8H2,1H3.
What are the key properties of 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole?
5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole has a molecular weight of 361.92 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylpiperidin-1-yl)sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 58906102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).