2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide

C15H21N5O2S — CID 124802447

About 2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide

2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide (PubChem CID 124802447) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
• PubChem CID: 124802447
• Molecular Formula: C15H21N5O2S
• Molecular Weight: 335.43 g/mol
• Exact Mass: 335.14
• IUPAC Name: 2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
• SMILES: COCC(=O)NC[C@H]1CN(Cc2nc(C)cs2)Cc2cncn21
• InChI: InChI=1S/C15H21N5O2S/c1-11-9-23-15(18-11)7-19-5-12-3-16-10-20(12)13(6-19)4-17-14(21)8-22-2/h3,9-10,13H,4-8H2,1-2H3,(H,17,21)/t13-/m0/s1
• InChIKey: MJHRQFNKOOQKPW-ZDUSSCGKSA-N
• XLogP: 0.97
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.43
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide (CID 124802447) is 2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide.

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

The canonical SMILES for 2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide is COCC(=O)NC[C@H]1CN(Cc2nc(C)cs2)Cc2cncn21.

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

The InChIKey is MJHRQFNKOOQKPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-9-23-15(18-11)7-19-5-12-3-16-10-20(12)13(6-19)4-17-14(21)8-22-2/h3,9-10,13H,4-8H2,1-2H3,(H,17,21)/t13-/m0/s1.

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

2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide is sourced from PubChem (CID 124802447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).