N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H22FN5OS — CID 155793668

IUPACN-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cc3ncc(F)c(C)n3)C2)s1
InChIInChI=1S/C17H22FN5OS/c1-11-15(18)8-19-16(21-11)6-13-4-3-5-23(9-13)10-14-7-20-17(25-14)22-12(2)24/h7-8,13H,3-6,9-10H2,1-2H3,(H,20,22,24)
InChIKeyXFBQHCBEPXNGEO-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.79
Rot. Bonds5

About N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155793668) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155793668
Molecular FormulaC17H22FN5OS
Molecular Weight363.46 g/mol
Exact Mass363.15
IUPAC NameN-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cc3ncc(F)c(C)n3)C2)s1
InChIInChI=1S/C17H22FN5OS/c1-11-15(18)8-19-16(21-11)6-13-4-3-5-23(9-13)10-14-7-20-17(25-14)22-12(2)24/h7-8,13H,3-6,9-10H2,1-2H3,(H,20,22,24)
InChIKeyXFBQHCBEPXNGEO-UHFFFAOYSA-N
XLogP2.79
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 155793668) is N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(Cc3ncc(F)c(C)n3)C2)s1.
What is the InChIKey of N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XFBQHCBEPXNGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5OS/c1-11-15(18)8-19-16(21-11)6-13-4-3-5-23(9-13)10-14-7-20-17(25-14)22-12(2)24/h7-8,13H,3-6,9-10H2,1-2H3,(H,20,22,24).
What are the key properties of N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155793668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).