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

C17H25N3O2S — CID 16869156

IUPAC6-ethyl-7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)N1CCCCC1C)CS2
InChIInChI=1S/C17H25N3O2S/c1-4-14-12(3)18-17-20(16(14)22)13(10-23-17)9-15(21)19-8-6-5-7-11(19)2/h11,13H,4-10H2,1-3H3
InChIKeyPWRLZOBRNGGJAT-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.55
Rot. Bonds3

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

6-ethyl-7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16869156) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 6-ethyl-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 Name6-ethyl-7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16869156
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name6-ethyl-7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)N1CCCCC1C)CS2
InChIInChI=1S/C17H25N3O2S/c1-4-14-12(3)18-17-20(16(14)22)13(10-23-17)9-15(21)19-8-6-5-7-11(19)2/h11,13H,4-10H2,1-3H3
InChIKeyPWRLZOBRNGGJAT-UHFFFAOYSA-N
XLogP2.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-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 6-ethyl-7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16869156) is 6-ethyl-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 6-ethyl-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 6-ethyl-7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1c(C)nc2n(c1=O)C(CC(=O)N1CCCCC1C)CS2.
What is the InChIKey of 6-ethyl-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 PWRLZOBRNGGJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-4-14-12(3)18-17-20(16(14)22)13(10-23-17)9-15(21)19-8-6-5-7-11(19)2/h11,13H,4-10H2,1-3H3.
What are the key properties of 6-ethyl-7-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-ethyl-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 335.47 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-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 16869156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).