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

C17H22N8OS — CID 142415472

IUPACN-[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
SMILESCC(=O)Nc1ncc(CN2CCCC(Nc3cc(C)nc4ncnn34)C2)s1
InChIInChI=1S/C17H22N8OS/c1-11-6-15(25-16(21-11)19-10-20-25)23-13-4-3-5-24(8-13)9-14-7-18-17(27-14)22-12(2)26/h6-7,10,13,23H,3-5,8-9H2,1-2H3,(H,18,22,26)
InChIKeyHOIHPYQGBBUEHQ-UHFFFAOYSA-N
MW386.49 g/mol
LogP1.92
Rot. Bonds5

About 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

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 (PubChem CID 142415472) has the molecular formula C17H22N8OS and a molecular weight of 386.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID142415472
Molecular FormulaC17H22N8OS
Molecular Weight386.49 g/mol
Exact Mass386.16
IUPAC NameN-[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
SMILESCC(=O)Nc1ncc(CN2CCCC(Nc3cc(C)nc4ncnn34)C2)s1
InChIInChI=1S/C17H22N8OS/c1-11-6-15(25-16(21-11)19-10-20-25)23-13-4-3-5-24(8-13)9-14-7-18-17(27-14)22-12(2)26/h6-7,10,13,23H,3-5,8-9H2,1-2H3,(H,18,22,26)
InChIKeyHOIHPYQGBBUEHQ-UHFFFAOYSA-N
XLogP1.92
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ncc(CN2CCCC(Nc3cc(C)nc4ncnn34)C2)s1.
What is the InChIKey of 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?
The InChIKey is HOIHPYQGBBUEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8OS/c1-11-6-15(25-16(21-11)19-10-20-25)23-13-4-3-5-24(8-13)9-14-7-18-17(27-14)22-12(2)26/h6-7,10,13,23H,3-5,8-9H2,1-2H3,(H,18,22,26).
What are the key properties of 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?
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 has a molecular weight of 386.49 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142415472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).