[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone

C24H24F5N5OS — CID 162573159

About [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone

[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone (PubChem CID 162573159) has the molecular formula C24H24F5N5OS and a molecular weight of 525.55 g/mol. Its IUPAC name is [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone
• PubChem CID: 162573159
• Molecular Formula: C24H24F5N5OS
• Molecular Weight: 525.55 g/mol
• Exact Mass: 525.16
• IUPAC Name: [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone
• SMILES: Cc1ccc(-c2sc(C)nc2C(=O)N2CC(F)(F)CC(C)C2CNc2ccc(C(F)(F)F)cn2)nc1
• InChI: InChI=1S/C24H24F5N5OS/c1-13-4-6-17(30-9-13)21-20(33-15(3)36-21)22(35)34-12-23(25,26)8-14(2)18(34)11-32-19-7-5-16(10-31-19)24(27,28)29/h4-7,9-10,14,18H,8,11-12H2,1-3H3,(H,31,32)
• InChIKey: JSEMBTFNKWXQTK-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.55
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone?

The IUPAC name of [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone (CID 162573159) is [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone.

What is the SMILES notation for [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone?

The canonical SMILES for [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone is Cc1ccc(-c2sc(C)nc2C(=O)N2CC(F)(F)CC(C)C2CNc2ccc(C(F)(F)F)cn2)nc1.

What is the InChIKey of [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone?

The InChIKey is JSEMBTFNKWXQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N5OS/c1-13-4-6-17(30-9-13)21-20(33-15(3)36-21)22(35)34-12-23(25,26)8-14(2)18(34)11-32-19-7-5-16(10-31-19)24(27,28)29/h4-7,9-10,14,18H,8,11-12H2,1-3H3,(H,31,32).

What are the key properties of [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone?

[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 525.55 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 162573159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).