N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide

C22H27F3N4O3S — CID 55516142

About N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide (PubChem CID 55516142) has the molecular formula C22H27F3N4O3S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
• PubChem CID: 55516142
• Molecular Formula: C22H27F3N4O3S
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.18
• IUPAC Name: N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
• SMILES: COCCCNC(=O)CN1CCN(C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)CC1
• InChI: InChI=1S/C22H27F3N4O3S/c1-15-19(33-20(27-15)16-4-6-17(7-5-16)22(23,24)25)21(31)29-11-9-28(10-12-29)14-18(30)26-8-3-13-32-2/h4-7H,3,8-14H2,1-2H3,(H,26,30)
• InChIKey: MPVTWCNGYRSNJO-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide (CID 55516142) is N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)CC1.

What is the InChIKey of N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide?

The InChIKey is MPVTWCNGYRSNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O3S/c1-15-19(33-20(27-15)16-4-6-17(7-5-16)22(23,24)25)21(31)29-11-9-28(10-12-29)14-18(30)26-8-3-13-32-2/h4-7H,3,8-14H2,1-2H3,(H,26,30).

What are the key properties of N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide?

N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 484.54 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55516142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).