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

C13H17N3O3S2 — CID 23004551

IUPAC7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C13H17N3O3S2/c1-9-5-3-4-6-16(9)21(18,19)11-10(2)14-13-15(12(11)17)7-8-20-13/h7-9H,3-6H2,1-2H3
InChIKeyYESYKIYAOGZXQL-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.63
Rot. Bonds2

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

7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 23004551) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID23004551
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C13H17N3O3S2/c1-9-5-3-4-6-16(9)21(18,19)11-10(2)14-13-15(12(11)17)7-8-20-13/h7-9H,3-6H2,1-2H3
InChIKeyYESYKIYAOGZXQL-UHFFFAOYSA-N
XLogP1.63
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 23004551) is 7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YESYKIYAOGZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-9-5-3-4-6-16(9)21(18,19)11-10(2)14-13-15(12(11)17)7-8-20-13/h7-9H,3-6H2,1-2H3.
What are the key properties of 7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 327.43 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 23004551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).