(2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

C16H16N6OS — CID 165424541

About (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

(2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 165424541) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 165424541
• Molecular Formula: C16H16N6OS
• Molecular Weight: 340.41 g/mol
• Exact Mass: 340.11
• IUPAC Name: (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• SMILES: C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cnc(N)s1
• InChI: InChI=1S/C16H16N6OS/c1-10-14-19-13(11-5-3-2-4-6-11)20-22(14)8-7-21(10)15(23)12-9-18-16(17)24-12/h2-6,9-10H,7-8H2,1H3,(H2,17,18)/t10-/m0/s1
• InChIKey: WMCFJWYFKFTUGE-JTQLQIEISA-N
• XLogP: 2.20
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.41
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The IUPAC name of (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 165424541) is (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cnc(N)s1.

What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The InChIKey is WMCFJWYFKFTUGE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16N6OS/c1-10-14-19-13(11-5-3-2-4-6-11)20-22(14)8-7-21(10)15(23)12-9-18-16(17)24-12/h2-6,9-10H,7-8H2,1H3,(H2,17,18)/t10-/m0/s1.

What are the key properties of (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

(2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 340.41 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 165424541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).