N-[5-[[3-(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H18FN7OS — CID 142415508

IUPACN-[5-[[3-(6-fluoro-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(c3c(F)c(C)nc4ncnn34)C2)s1
InChIInChI=1S/C16H18FN7OS/c1-9-13(17)14(24-15(21-9)19-8-20-24)11-3-4-23(6-11)7-12-5-18-16(26-12)22-10(2)25/h5,8,11H,3-4,6-7H2,1-2H3,(H,18,22,25)
InChIKeyWLYSUECMNZNYFX-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.98
Rot. Bonds4

About N-[5-[[3-(6-fluoro-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-(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415508) has the molecular formula C16H18FN7OS and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[5-[[3-(6-fluoro-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-(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415508
Molecular FormulaC16H18FN7OS
Molecular Weight375.43 g/mol
Exact Mass375.13
IUPAC NameN-[5-[[3-(6-fluoro-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(c3c(F)c(C)nc4ncnn34)C2)s1
InChIInChI=1S/C16H18FN7OS/c1-9-13(17)14(24-15(21-9)19-8-20-24)11-3-4-23(6-11)7-12-5-18-16(26-12)22-10(2)25/h5,8,11H,3-4,6-7H2,1-2H3,(H,18,22,25)
InChIKeyWLYSUECMNZNYFX-UHFFFAOYSA-N
XLogP1.98
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[[3-(6-fluoro-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-(6-fluoro-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-(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415508) is N-[5-[[3-(6-fluoro-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-(6-fluoro-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-(6-fluoro-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(c3c(F)c(C)nc4ncnn34)C2)s1.
What is the InChIKey of N-[5-[[3-(6-fluoro-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 WLYSUECMNZNYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7OS/c1-9-13(17)14(24-15(21-9)19-8-20-24)11-3-4-23(6-11)7-12-5-18-16(26-12)22-10(2)25/h5,8,11H,3-4,6-7H2,1-2H3,(H,18,22,25).
What are the key properties of N-[5-[[3-(6-fluoro-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-(6-fluoro-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 375.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(6-fluoro-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 142415508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).