(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C17H23N5OS — CID 129476502

IUPAC(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCOc1ccnc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1
InChIInChI=1S/C17H23N5OS/c1-21(12-15-18-7-10-24-15)13-11-17(13)4-8-22(9-5-17)16-19-6-3-14(20-16)23-2/h3,6-7,10,13H,4-5,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyQNRPEZAJEJJYOI-ZDUSSCGKSA-N
MW345.47 g/mol
LogP2.43
Rot. Bonds5

About (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 129476502) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID129476502
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCOc1ccnc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1
InChIInChI=1S/C17H23N5OS/c1-21(12-15-18-7-10-24-15)13-11-17(13)4-8-22(9-5-17)16-19-6-3-14(20-16)23-2/h3,6-7,10,13H,4-5,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyQNRPEZAJEJJYOI-ZDUSSCGKSA-N
XLogP2.43
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 129476502) is (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is COc1ccnc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1.
What is the InChIKey of (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is QNRPEZAJEJJYOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-21(12-15-18-7-10-24-15)13-11-17(13)4-8-22(9-5-17)16-19-6-3-14(20-16)23-2/h3,6-7,10,13H,4-5,8-9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 345.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129476502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).