1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one

C17H20N6O2S — CID 159420009

IUPAC1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCOC(c3cc(C)nc4ncnn34)C2)s1
InChIInChI=1S/C17H20N6O2S/c1-11-5-14(23-17(21-11)19-10-20-23)15-9-22(3-4-25-15)8-13-7-18-16(26-13)6-12(2)24/h5,7,10,15H,3-4,6,8-9H2,1-2H3
InChIKeyLPQKXTAGJJDGPU-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.59
Rot. Bonds5

About 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one

1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (PubChem CID 159420009) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
PubChem CID159420009
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCOC(c3cc(C)nc4ncnn34)C2)s1
InChIInChI=1S/C17H20N6O2S/c1-11-5-14(23-17(21-11)19-10-20-23)15-9-22(3-4-25-15)8-13-7-18-16(26-13)6-12(2)24/h5,7,10,15H,3-4,6,8-9H2,1-2H3
InChIKeyLPQKXTAGJJDGPU-UHFFFAOYSA-N
XLogP1.59
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (CID 159420009) is 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1ncc(CN2CCOC(c3cc(C)nc4ncnn34)C2)s1.
What is the InChIKey of 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is LPQKXTAGJJDGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-11-5-14(23-17(21-11)19-10-20-23)15-9-22(3-4-25-15)8-13-7-18-16(26-13)6-12(2)24/h5,7,10,15H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 372.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 159420009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).