7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H17N3O3S2 — CID 23004546

IUPAC7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H17N3O3S2/c1-9-3-5-15(6-4-9)21(18,19)11-10(2)14-13-16(12(11)17)7-8-20-13/h7-9H,3-6H2,1-2H3
InChIKeyQXIABLKPEDKLDL-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.49
Rot. Bonds2

About 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 23004546) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID23004546
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C13H17N3O3S2/c1-9-3-5-15(6-4-9)21(18,19)11-10(2)14-13-16(12(11)17)7-8-20-13/h7-9H,3-6H2,1-2H3
InChIKeyQXIABLKPEDKLDL-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 6625010
N-cyclohexyl-N,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 6625813
3,7-Dimethyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8088011
7-[(4-methylpiperidin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655084
6-(4-Cyclohexylpiperazin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8087924
6-(Azepane-1-sulfonyl)-7-methyl-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 22432190
6-(2-Ethylpiperidin-1-yl)sulfonyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23004550
7-methyl-6-[(2-methylpiperidin-1-yl)sulfonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23004551
7-[(4-Ethylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47057384
7-[[4-(1-Ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920639
N-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47055459
7-[[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51168905

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 23004546) is 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QXIABLKPEDKLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-9-3-5-15(6-4-9)21(18,19)11-10(2)14-13-16(12(11)17)7-8-20-13/h7-9H,3-6H2,1-2H3.
What are the key properties of 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 327.43 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 23004546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).