3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile

C17H20N6S — CID 129477102

About 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile

3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile (PubChem CID 129477102) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile
• PubChem CID: 129477102
• Molecular Formula: C17H20N6S
• Molecular Weight: 340.46 g/mol
• Exact Mass: 340.15
• IUPAC Name: 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile
• SMILES: CN(Cc1nccs1)[C@@H]1CC12CCN(c1nccnc1C#N)CC2
• InChI: InChI=1S/C17H20N6S/c1-22(12-15-20-6-9-24-15)14-10-17(14)2-7-23(8-3-17)16-13(11-18)19-4-5-21-16/h4-6,9,14H,2-3,7-8,10,12H2,1H3/t14-/m1/s1
• InChIKey: YRVIQUVJULVJQD-CQSZACIVSA-N
• XLogP: 2.30
• TPSA: 68.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.46
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile?

The IUPAC name of 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile (CID 129477102) is 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile.

What is the SMILES notation for 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile?

The canonical SMILES for 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile is CN(Cc1nccs1)[C@@H]1CC12CCN(c1nccnc1C#N)CC2.

What is the InChIKey of 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile?

The InChIKey is YRVIQUVJULVJQD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N6S/c1-22(12-15-20-6-9-24-15)14-10-17(14)2-7-23(8-3-17)16-13(11-18)19-4-5-21-16/h4-6,9,14H,2-3,7-8,10,12H2,1H3/t14-/m1/s1.

What are the key properties of 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile?

3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile has a molecular weight of 340.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 129477102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).