N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H22FN5OS — CID 175123965

About N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 175123965) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 175123965
• Molecular Formula: C17H22FN5OS
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.15
• IUPAC Name: N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(CN2CCCC([C@@H](C)c3ncc(F)cn3)C2)s1
• InChI: InChI=1S/C17H22FN5OS/c1-11(16-19-6-14(18)7-20-16)13-4-3-5-23(9-13)10-15-8-21-17(25-15)22-12(2)24/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,21,22,24)/t11-,13?/m1/s1
• InChIKey: HWXDVDQVUCNZKP-JTDNENJMSA-N
• XLogP: 3.05
• 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	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 175123965) is N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC([C@@H](C)c3ncc(F)cn3)C2)s1.

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

The InChIKey is HWXDVDQVUCNZKP-JTDNENJMSA-N. The full InChI is InChI=1S/C17H22FN5OS/c1-11(16-19-6-14(18)7-20-16)13-4-3-5-23(9-13)10-15-8-21-17(25-15)22-12(2)24/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,21,22,24)/t11-,13?/m1/s1.

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

N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 175123965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).