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

C17H22FN5OS — CID 139500246

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

N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139500246) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 139500246
• Molecular Formula: C17H22FN5OS
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.15
• IUPAC Name: N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(CN2CCC[C@H](Cc3ncc(F)c(C)n3)C2)s1
• InChI: 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)/t13-/m1/s1
• InChIKey: XFBQHCBEPXNGEO-CYBMUJFWSA-N
• XLogP: 2.79
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139500246) is N-[5-[[(3R)-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-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC[C@H](Cc3ncc(F)c(C)n3)C2)s1.

What is the InChIKey of N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is XFBQHCBEPXNGEO-CYBMUJFWSA-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)/t13-/m1/s1.

What are the key properties of N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[[(3R)-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-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139500246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).