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

C18H22N8OS — CID 162662332

IUPACN-[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
SMILESCC(=O)Nc1ncc(CN2CCC3(C2)CN(c2cc(C)nc4ncnn24)C3)s1
InChIInChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-9-18(10-25)3-4-24(8-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27)
InChIKeyIETFFDMVUYUGPT-UHFFFAOYSA-N
MW398.50 g/mol
LogP1.56
Rot. Bonds4

About 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

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 (PubChem CID 162662332) has the molecular formula C18H22N8OS and a molecular weight of 398.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID162662332
Molecular FormulaC18H22N8OS
Molecular Weight398.50 g/mol
Exact Mass398.16
IUPAC NameN-[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
SMILESCC(=O)Nc1ncc(CN2CCC3(C2)CN(c2cc(C)nc4ncnn24)C3)s1
InChIInChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-9-18(10-25)3-4-24(8-18)7-14-6-19-17(28-14)23-13(2)27/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,23,27)
InChIKeyIETFFDMVUYUGPT-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-[[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ncc(CN2CCC3(C2)CN(c2cc(C)nc4ncnn24)C3)s1.
What is the InChIKey of 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?
The InChIKey is IETFFDMVUYUGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8OS/c1-12-5-15(26-16(22-12)20-11-21-26)25-9-18(10-25)3-4-24(8-18)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-[[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?
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 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-[[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 is sourced from PubChem (CID 162662332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).