N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide

C21H23FN4O2S — CID 45183724

About N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide

N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide (PubChem CID 45183724) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide
• PubChem CID: 45183724
• Molecular Formula: C21H23FN4O2S
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.15
• IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide
• SMILES: Cc1cc(F)ccc1NC(=O)CCC1CCCN(C(=O)c2cn3ccsc3n2)C1
• InChI: InChI=1S/C21H23FN4O2S/c1-14-11-16(22)5-6-17(14)23-19(27)7-4-15-3-2-8-25(12-15)20(28)18-13-26-9-10-29-21(26)24-18/h5-6,9-11,13,15H,2-4,7-8,12H2,1H3,(H,23,27)
• InChIKey: MWTATMSPLZHBBF-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 66.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide?

The IUPAC name of N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide (CID 45183724) is N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide.

What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide?

The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide is Cc1cc(F)ccc1NC(=O)CCC1CCCN(C(=O)c2cn3ccsc3n2)C1.

What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide?

The InChIKey is MWTATMSPLZHBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-14-11-16(22)5-6-17(14)23-19(27)7-4-15-3-2-8-25(12-15)20(28)18-13-26-9-10-29-21(26)24-18/h5-6,9-11,13,15H,2-4,7-8,12H2,1H3,(H,23,27).

What are the key properties of N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide?

N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45183724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).