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

C15H21N3O2S — CID 16867874

IUPAC7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCCC1C
InChIInChI=1S/C15H21N3O2S/c1-10-7-14(20)18-12(9-21-15(18)16-10)8-13(19)17-6-4-3-5-11(17)2/h7,11-12H,3-6,8-9H2,1-2H3
InChIKeyIWLQMVSRYBAUJH-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.99
Rot. Bonds2

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

7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867874) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867874
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCCC1C
InChIInChI=1S/C15H21N3O2S/c1-10-7-14(20)18-12(9-21-15(18)16-10)8-13(19)17-6-4-3-5-11(17)2/h7,11-12H,3-6,8-9H2,1-2H3
InChIKeyIWLQMVSRYBAUJH-UHFFFAOYSA-N
XLogP1.99
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867874) is 7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCCC1C.
What is the InChIKey of 7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IWLQMVSRYBAUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10-7-14(20)18-12(9-21-15(18)16-10)8-13(19)17-6-4-3-5-11(17)2/h7,11-12H,3-6,8-9H2,1-2H3.
What are the key properties of 7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 307.42 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).