2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone

C18H25N5OS — CID 70726668

About 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 70726668) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
• PubChem CID: 70726668
• Molecular Formula: C18H25N5OS
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.18
• IUPAC Name: 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
• SMILES: CCn1ccnc1C1CCCN(C(=O)CC2=CSC3=NCCCN23)C1
• InChI: InChI=1S/C18H25N5OS/c1-2-21-10-7-19-17(21)14-5-3-8-22(12-14)16(24)11-15-13-25-18-20-6-4-9-23(15)18/h7,10,13-14H,2-6,8-9,11-12H2,1H3
• InChIKey: QLPRYCOZKRBGFW-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 53.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone (CID 70726668) is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone is CCn1ccnc1C1CCCN(C(=O)CC2=CSC3=NCCCN23)C1.

What is the InChIKey of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone?

The InChIKey is QLPRYCOZKRBGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-2-21-10-7-19-17(21)14-5-3-8-22(12-14)16(24)11-15-13-25-18-20-6-4-9-23(15)18/h7,10,13-14H,2-6,8-9,11-12H2,1H3.

What are the key properties of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone?

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 359.50 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70726668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).