7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H29N3O2S — CID 16868779

About 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868779) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 16868779
• Molecular Formula: C19H29N3O2S
• Molecular Weight: 363.53 g/mol
• Exact Mass: 363.20
• IUPAC Name: 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: CCC1CCCCN1C(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21
• InChI: InChI=1S/C19H29N3O2S/c1-5-13-8-6-7-9-21(13)16(23)10-14-12-25-18-20-15(19(2,3)4)11-17(24)22(14)18/h11,13-14H,5-10,12H2,1-4H3
• InChIKey: XWHFZNORPURETM-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.53
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868779) is 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC1CCCCN1C(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21.

What is the InChIKey of 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is XWHFZNORPURETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-5-13-8-6-7-9-21(13)16(23)10-14-12-25-18-20-15(19(2,3)4)11-17(24)22(14)18/h11,13-14H,5-10,12H2,1-4H3.

What are the key properties of 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 363.53 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).