2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide

C23H25FN4O3S — CID 10204624

About 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide

2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 10204624) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 10204624
• Molecular Formula: C23H25FN4O3S
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.16
• IUPAC Name: 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: Cc1c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)sc2ncc(C(=O)C(=O)N(C)C)n12
• InChI: InChI=1S/C23H25FN4O3S/c1-14-20(32-23-25-13-18(28(14)23)19(29)21(30)26(2)3)22(31)27-10-8-16(9-11-27)12-15-4-6-17(24)7-5-15/h4-7,13,16H,8-12H2,1-3H3
• InChIKey: LZRNWMHJHXPMGF-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 74.99 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.54
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide (CID 10204624) is 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide.

What is the SMILES notation for 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide?

The canonical SMILES for 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide is Cc1c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)sc2ncc(C(=O)C(=O)N(C)C)n12.

What is the InChIKey of 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide?

The InChIKey is LZRNWMHJHXPMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-14-20(32-23-25-13-18(28(14)23)19(29)21(30)26(2)3)22(31)27-10-8-16(9-11-27)12-15-4-6-17(24)7-5-15/h4-7,13,16H,8-12H2,1-3H3.

What are the key properties of 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide?

2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 456.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 10204624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).