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

C16H19N7OS — CID 142415514

IUPACN-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3cc(C)nc4ncnn34)C2)s1
InChIInChI=1S/C16H19N7OS/c1-10-5-14(23-15(20-10)18-9-19-23)12-3-4-22(7-12)8-13-6-17-16(25-13)21-11(2)24/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,17,21,24)
InChIKeyBJLRNKQCCYVVLC-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.84
Rot. Bonds4

About 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

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 (PubChem CID 142415514) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415514
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC NameN-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3cc(C)nc4ncnn34)C2)s1
InChIInChI=1S/C16H19N7OS/c1-10-5-14(23-15(20-10)18-9-19-23)12-3-4-22(7-12)8-13-6-17-16(25-13)21-11(2)24/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,17,21,24)
InChIKeyBJLRNKQCCYVVLC-UHFFFAOYSA-N
XLogP1.84
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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)pyrrolidin-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)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415514) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1ncc(CN2CCC(c3cc(C)nc4ncnn34)C2)s1.
What is the InChIKey of 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?
The InChIKey is BJLRNKQCCYVVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-10-5-14(23-15(20-10)18-9-19-23)12-3-4-22(7-12)8-13-6-17-16(25-13)21-11(2)24/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,17,21,24).
What are the key properties of 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?
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 has a molecular weight of 357.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).