N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide

C18H24FN5O2S — CID 155793648

About N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide

N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 155793648) has the molecular formula C18H24FN5O2S and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
• PubChem CID: 155793648
• Molecular Formula: C18H24FN5O2S
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.16
• IUPAC Name: N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
• SMILES: CCC(=O)Nc1nc(F)c(CN2CCCC(Cc3cc(OC)ncn3)C2)s1
• InChI: InChI=1S/C18H24FN5O2S/c1-3-15(25)22-18-23-17(19)14(27-18)10-24-6-4-5-12(9-24)7-13-8-16(26-2)21-11-20-13/h8,11-12H,3-7,9-10H2,1-2H3,(H,22,23,25)
• InChIKey: MRIIMGZJXBFWQA-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?

The IUPAC name of N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide (CID 155793648) is N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(F)c(CN2CCCC(Cc3cc(OC)ncn3)C2)s1.

What is the InChIKey of N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?

The InChIKey is MRIIMGZJXBFWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2S/c1-3-15(25)22-18-23-17(19)14(27-18)10-24-6-4-5-12(9-24)7-13-8-16(26-2)21-11-20-13/h8,11-12H,3-7,9-10H2,1-2H3,(H,22,23,25).

What are the key properties of N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?

N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 393.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 155793648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).