(2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C16H23N5S — CID 129474601

IUPAC(2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C16H23N5S/c1-20(12-15-17-6-9-22-15)14-10-16(14)3-7-21(8-4-16)11-13-2-5-18-19-13/h2,5-6,9,14H,3-4,7-8,10-12H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyGGISCCCSONLXIC-AWEZNQCLSA-N
MW317.46 g/mol
LogP2.35
Rot. Bonds5

About (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

(2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 129474601) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID129474601
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name(2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C16H23N5S/c1-20(12-15-17-6-9-22-15)14-10-16(14)3-7-21(8-4-16)11-13-2-5-18-19-13/h2,5-6,9,14H,3-4,7-8,10-12H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyGGISCCCSONLXIC-AWEZNQCLSA-N
XLogP2.35
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129474275
(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129473677
(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129475121
(2S)-6-[(3-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129475932
6-(1,3-benzodioxol-4-ylmethyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 128994628
(2R)-6-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129475406
2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 110114192
3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide
CID 128970567
[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
CID 129476463
[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone
CID 136533829
4-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]benzonitrile
CID 129475438
cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
CID 129351892

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 129474601) is (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is CN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccn[nH]1)CC2.
What is the InChIKey of (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is GGISCCCSONLXIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5S/c1-20(12-15-17-6-9-22-15)14-10-16(14)3-7-21(8-4-16)11-13-2-5-18-19-13/h2,5-6,9,14H,3-4,7-8,10-12H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
(2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 317.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129474601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).