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

C15H21N3OS — CID 47030291

IUPAC7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1
InChIInChI=1S/C15H21N3OS/c1-3-12-5-4-6-17(8-12)9-13-7-14(19)18-11(2)10-20-15(18)16-13/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyYOWAFMVDCAWCLV-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.69
Rot. Bonds3

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

7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 47030291) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID47030291
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1
InChIInChI=1S/C15H21N3OS/c1-3-12-5-4-6-17(8-12)9-13-7-14(19)18-11(2)10-20-15(18)16-13/h7,10,12H,3-6,8-9H2,1-2H3
InChIKeyYOWAFMVDCAWCLV-UHFFFAOYSA-N
XLogP2.69
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 47030291) is 7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC1CCCN(Cc2cc(=O)n3c(C)csc3n2)C1.
What is the InChIKey of 7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YOWAFMVDCAWCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-12-5-4-6-17(8-12)9-13-7-14(19)18-11(2)10-20-15(18)16-13/h7,10,12H,3-6,8-9H2,1-2H3.
What are the key properties of 7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 291.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-ethylpiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 47030291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).