1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C15H20N4O2S — CID 118739725

About 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 118739725) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
• PubChem CID: 118739725
• Molecular Formula: C15H20N4O2S
• Molecular Weight: 320.42 g/mol
• Exact Mass: 320.13
• IUPAC Name: 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
• SMILES: CC(=O)N1CCn2c(COCc3csc(C)n3)cnc2C1C
• InChI: InChI=1S/C15H20N4O2S/c1-10-15-16-6-14(19(15)5-4-18(10)12(3)20)8-21-7-13-9-22-11(2)17-13/h6,9-10H,4-5,7-8H2,1-3H3
• InChIKey: UMEZXZSNNNZBFF-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.42
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

The IUPAC name of 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 118739725) is 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

What is the SMILES notation for 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

The canonical SMILES for 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(COCc3csc(C)n3)cnc2C1C.

What is the InChIKey of 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

The InChIKey is UMEZXZSNNNZBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-15-16-6-14(19(15)5-4-18(10)12(3)20)8-21-7-13-9-22-11(2)17-13/h6,9-10H,4-5,7-8H2,1-3H3.

What are the key properties of 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 320.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 118739725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).