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

C18H22FN7OS — CID 142415439

IUPACN-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cc3c(F)c(C)nc4ncnn34)C2)s1
InChIInChI=1S/C18H22FN7OS/c1-11-16(19)15(26-17(23-11)21-10-22-26)6-13-4-3-5-25(8-13)9-14-7-20-18(28-14)24-12(2)27/h7,10,13H,3-6,8-9H2,1-2H3,(H,20,24,27)
InChIKeyCBLDDOQCELXOCM-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.44
Rot. Bonds5

About N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-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)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415439) has the molecular formula C18H22FN7OS and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-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)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415439
Molecular FormulaC18H22FN7OS
Molecular Weight403.49 g/mol
Exact Mass403.16
IUPAC NameN-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cc3c(F)c(C)nc4ncnn34)C2)s1
InChIInChI=1S/C18H22FN7OS/c1-11-16(19)15(26-17(23-11)21-10-22-26)6-13-4-3-5-25(8-13)9-14-7-20-18(28-14)24-12(2)27/h7,10,13H,3-6,8-9H2,1-2H3,(H,20,24,27)
InChIKeyCBLDDOQCELXOCM-UHFFFAOYSA-N
XLogP2.44
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.44
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)methyl]piperidin-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)methyl]piperidin-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)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415439) is N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-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)methyl]piperidin-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)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(Cc3c(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)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CBLDDOQCELXOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7OS/c1-11-16(19)15(26-17(23-11)21-10-22-26)6-13-4-3-5-25(8-13)9-14-7-20-18(28-14)24-12(2)27/h7,10,13H,3-6,8-9H2,1-2H3,(H,20,24,27).
What are the key properties of N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-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)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 2.44, 5 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)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).