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

C15H21N3O2S — CID 16867875

IUPAC7-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC(C)C1
InChIInChI=1S/C15H21N3O2S/c1-10-4-3-5-17(8-10)13(19)7-12-9-21-15-16-11(2)6-14(20)18(12)15/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyYCNPSRHGFNUMDS-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.85
Rot. Bonds2

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

7-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867875) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 7-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867875
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name7-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC(C)C1
InChIInChI=1S/C15H21N3O2S/c1-10-4-3-5-17(8-10)13(19)7-12-9-21-15-16-11(2)6-14(20)18(12)15/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyYCNPSRHGFNUMDS-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16254009
7-methyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867873
6-Methyl-3-(2-morpholino-2-oxoethyl)-1-thia-3a,7-diaza-4-indanone
CID 16867883
1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxamide
CID 16868016
7-Methyl-3-(2-oxo-2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50848345
3-{2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl}-6,7-dimethyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 155976686
6-(3,5-Dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4096358
7-methyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867872
methyl 1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxylate
CID 16867880
3-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868011
3-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)-7-isopropyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868753
3-Methyl-6-(3-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3340239

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-(3-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-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867875) is 7-methyl-3-[2-(3-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-(3-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-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCC(C)C1.
What is the InChIKey of 7-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YCNPSRHGFNUMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10-4-3-5-17(8-10)13(19)7-12-9-21-15-16-11(2)6-14(20)18(12)15/h6,10,12H,3-5,7-9H2,1-2H3.
What are the key properties of 7-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-3-[2-(3-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 1.85, 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-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).