5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane

C26H36F5N5O3S — CID 145391792

About 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane

5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane (PubChem CID 145391792) has the molecular formula C26H36F5N5O3S and a molecular weight of 593.66 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane.

Molecular Properties

• Compound Name: 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane
• PubChem CID: 145391792
• Molecular Formula: C26H36F5N5O3S
• Molecular Weight: 593.66 g/mol
• Exact Mass: 593.25
• IUPAC Name: 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane
• SMILES: CC.CC1CCCCN1C(=O)c1nc(C(=O)NC(C)C(C)(C)O)sc1-c1cnc(NCC(F)(F)F)cc1C(F)F
• InChI: InChI=1S/C24H30F5N5O3S.C2H6/c1-12-7-5-6-8-34(12)22(36)17-18(38-21(33-17)20(35)32-13(2)23(3,4)37)15-10-30-16(9-14(15)19(25)26)31-11-24(27,28)29;1-2/h9-10,12-13,19,37H,5-8,11H2,1-4H3,(H,30,31)(H,32,35);1-2H3
• InChIKey: CCEOCMCUYGWDDV-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 107.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.66
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane?

The IUPAC name of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane (CID 145391792) is 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane.

What is the SMILES notation for 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane?

The canonical SMILES for 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane is CC.CC1CCCCN1C(=O)c1nc(C(=O)NC(C)C(C)(C)O)sc1-c1cnc(NCC(F)(F)F)cc1C(F)F.

What is the InChIKey of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane?

The InChIKey is CCEOCMCUYGWDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F5N5O3S.C2H6/c1-12-7-5-6-8-34(12)22(36)17-18(38-21(33-17)20(35)32-13(2)23(3,4)37)15-10-30-16(9-14(15)19(25)26)31-11-24(27,28)29;1-2/h9-10,12-13,19,37H,5-8,11H2,1-4H3,(H,30,31)(H,32,35);1-2H3.

What are the key properties of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane?

5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane has a molecular weight of 593.66 g/mol, XLogP of 6.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane is sourced from PubChem (CID 145391792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).