2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide

C23H24F4N4OS — CID 69042267

About 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide

2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 69042267) has the molecular formula C23H24F4N4OS and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
• PubChem CID: 69042267
• Molecular Formula: C23H24F4N4OS
• Molecular Weight: 480.53 g/mol
• Exact Mass: 480.16
• IUPAC Name: 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
• SMILES: CNC(=O)C(c1ccc(F)cc1)N(CCCc1ccc(C(F)(F)F)nc1)c1sc(C)nc1C
• InChI: InChI=1S/C23H24F4N4OS/c1-14-22(33-15(2)30-14)31(20(21(32)28-3)17-7-9-18(24)10-8-17)12-4-5-16-6-11-19(29-13-16)23(25,26)27/h6-11,13,20H,4-5,12H2,1-3H3,(H,28,32)
• InChIKey: PHTUNKDJNRJOLJ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.53
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide?

The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide (CID 69042267) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide.

What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide?

The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide is CNC(=O)C(c1ccc(F)cc1)N(CCCc1ccc(C(F)(F)F)nc1)c1sc(C)nc1C.

What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide?

The InChIKey is PHTUNKDJNRJOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4OS/c1-14-22(33-15(2)30-14)31(20(21(32)28-3)17-7-9-18(24)10-8-17)12-4-5-16-6-11-19(29-13-16)23(25,26)27/h6-11,13,20H,4-5,12H2,1-3H3,(H,28,32).

What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide?

2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 480.53 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 69042267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).