4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C22H24F3N5OS — CID 59579939

About 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59579939) has the molecular formula C22H24F3N5OS and a molecular weight of 463.53 g/mol. Its IUPAC name is 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 59579939
• Molecular Formula: C22H24F3N5OS
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.17
• IUPAC Name: 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: CCc1nc(-c2ncccn2)sc1C(=O)NCC(CC(C)C)c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C22H24F3N5OS/c1-4-16-18(32-21(30-16)19-26-8-5-9-27-19)20(31)29-12-15(10-13(2)3)14-6-7-17(28-11-14)22(23,24)25/h5-9,11,13,15H,4,10,12H2,1-3H3,(H,29,31)
• InChIKey: UWELWJVFLPNACG-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 80.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59579939) is 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCC(CC(C)C)c1ccc(C(F)(F)F)nc1.

What is the InChIKey of 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is UWELWJVFLPNACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5OS/c1-4-16-18(32-21(30-16)19-26-8-5-9-27-19)20(31)29-12-15(10-13(2)3)14-6-7-17(28-11-14)22(23,24)25/h5-9,11,13,15H,4,10,12H2,1-3H3,(H,29,31).

What are the key properties of 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).