3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide

C20H26FN5O2S — CID 55506228

About 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide

3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide (PubChem CID 55506228) has the molecular formula C20H26FN5O2S and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide.

Molecular Properties

• Compound Name: 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide
• PubChem CID: 55506228
• Molecular Formula: C20H26FN5O2S
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.18
• IUPAC Name: 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide
• SMILES: Cc1nc(CN2CCN(CC(=O)N(CCC(N)=O)c3ccc(F)cc3)CC2)cs1
• InChI: InChI=1S/C20H26FN5O2S/c1-15-23-17(14-29-15)12-24-8-10-25(11-9-24)13-20(28)26(7-6-19(22)27)18-4-2-16(21)3-5-18/h2-5,14H,6-13H2,1H3,(H2,22,27)
• InChIKey: YVPIREKOJONGLV-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 82.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide?

The IUPAC name of 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide (CID 55506228) is 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide.

What is the SMILES notation for 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide?

The canonical SMILES for 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide is Cc1nc(CN2CCN(CC(=O)N(CCC(N)=O)c3ccc(F)cc3)CC2)cs1.

What is the InChIKey of 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide?

The InChIKey is YVPIREKOJONGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2S/c1-15-23-17(14-29-15)12-24-8-10-25(11-9-24)13-20(28)26(7-6-19(22)27)18-4-2-16(21)3-5-18/h2-5,14H,6-13H2,1H3,(H2,22,27).

What are the key properties of 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide?

3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide has a molecular weight of 419.53 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluoro-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]anilino)propanamide is sourced from PubChem (CID 55506228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).