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

C17H20N6S — CID 129477102

IUPAC3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile
SMILESCN(Cc1nccs1)[C@@H]1CC12CCN(c1nccnc1C#N)CC2
InChIInChI=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
InChIKeyYRVIQUVJULVJQD-CQSZACIVSA-N
MW340.46 g/mol
LogP2.30
Rot. Bonds4

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 Name3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile
PubChem CID129477102
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile
SMILESCN(Cc1nccs1)[C@@H]1CC12CCN(c1nccnc1C#N)CC2
InChIInChI=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
InChIKeyYRVIQUVJULVJQD-CQSZACIVSA-N
XLogP2.30
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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).