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

C17H25N3O2S — CID 16868396

IUPAC3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCCC1C
InChIInChI=1S/C17H25N3O2S/c1-3-6-13-9-16(22)20-14(11-23-17(20)18-13)10-15(21)19-8-5-4-7-12(19)2/h9,12,14H,3-8,10-11H2,1-2H3
InChIKeyCZXICFRSCMMIJN-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.63
Rot. Bonds4

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

3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868396) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868396
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCCC1C
InChIInChI=1S/C17H25N3O2S/c1-3-6-13-9-16(22)20-14(11-23-17(20)18-13)10-15(21)19-8-5-4-7-12(19)2/h9,12,14H,3-8,10-11H2,1-2H3
InChIKeyCZXICFRSCMMIJN-UHFFFAOYSA-N
XLogP2.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868396) is 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCCCC1C.
What is the InChIKey of 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CZXICFRSCMMIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-6-13-9-16(22)20-14(11-23-17(20)18-13)10-15(21)19-8-5-4-7-12(19)2/h9,12,14H,3-8,10-11H2,1-2H3.
What are the key properties of 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 335.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).