6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H19N3O3S2 — CID 23004550

IUPAC6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CCCCN1S(=O)(=O)c1c(C)nc2sccn2c1=O
InChIInChI=1S/C14H19N3O3S2/c1-3-11-6-4-5-7-17(11)22(19,20)12-10(2)15-14-16(13(12)18)8-9-21-14/h8-9,11H,3-7H2,1-2H3
InChIKeyWNRGKMGKOIASFS-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.02
Rot. Bonds3

About 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 23004550) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID23004550
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CCCCN1S(=O)(=O)c1c(C)nc2sccn2c1=O
InChIInChI=1S/C14H19N3O3S2/c1-3-11-6-4-5-7-17(11)22(19,20)12-10(2)15-14-16(13(12)18)8-9-21-14/h8-9,11H,3-7H2,1-2H3
InChIKeyWNRGKMGKOIASFS-UHFFFAOYSA-N
XLogP2.02
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 23004550) is 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC1CCCCN1S(=O)(=O)c1c(C)nc2sccn2c1=O.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WNRGKMGKOIASFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-3-11-6-4-5-7-17(11)22(19,20)12-10(2)15-14-16(13(12)18)8-9-21-14/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 341.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 23004550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).