N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H22N8OS — CID 155804593

IUPACN-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC3(CCN(c4cc(C)nc5ncnn45)C3)C2)s1
InChIInChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-4-3-18(10-25)8-24(9-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27)
InChIKeyDSEWUBFXIVTHKH-UHFFFAOYSA-N
MW398.50 g/mol
LogP1.56
Rot. Bonds4

About N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155804593) has the molecular formula C18H22N8OS and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155804593
Molecular FormulaC18H22N8OS
Molecular Weight398.50 g/mol
Exact Mass398.16
IUPAC NameN-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC3(CCN(c4cc(C)nc5ncnn45)C3)C2)s1
InChIInChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-4-3-18(10-25)8-24(9-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27)
InChIKeyDSEWUBFXIVTHKH-UHFFFAOYSA-N
XLogP1.56
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135301919
N-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162661748
N-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162662332
N-[5-[[4-(2-pyrazolo[1,5-a]pyrimidin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377657
N-[5-[[7-(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155289409
3-fluoro-1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334720
1-{5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334721
1-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171997901
7-methyl-N-(5-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2523414
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3227871
N-[5-[[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415472
N-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415514

Frequently Asked Questions

What is the IUPAC name of N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 155804593) is N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC3(CCN(c4cc(C)nc5ncnn45)C3)C2)s1.
What is the InChIKey of N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DSEWUBFXIVTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-4-3-18(10-25)8-24(9-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27).
What are the key properties of N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155804593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).