2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole

C9H13ClN2O3S2 — CID 43455973

IUPAC2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCOC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H13ClN2O3S2/c1-15-7-2-4-12(5-3-7)17(13,14)8-6-11-9(10)16-8/h6-7H,2-5H2,1H3
InChIKeyJSHFMGSUGOYRDG-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.60
Rot. Bonds3

About 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole

2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 43455973) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole
PubChem CID43455973
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole
SMILESCOC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H13ClN2O3S2/c1-15-7-2-4-12(5-3-7)17(13,14)8-6-11-9(10)16-8/h6-7H,2-5H2,1H3
InChIKeyJSHFMGSUGOYRDG-UHFFFAOYSA-N
XLogP1.60
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole (CID 43455973) is 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole is COC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is JSHFMGSUGOYRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-15-7-2-4-12(5-3-7)17(13,14)8-6-11-9(10)16-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole?
2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 296.80 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 43455973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).