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

C24H24F5N5OS — CID 130341885

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

[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone (PubChem CID 130341885) has the molecular formula C24H24F5N5OS and a molecular weight of 525.55 g/mol. Its IUPAC name is [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone
• PubChem CID: 130341885
• Molecular Formula: C24H24F5N5OS
• Molecular Weight: 525.55 g/mol
• Exact Mass: 525.16
• IUPAC Name: [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone
• SMILES: Cc1ccnc(-c2sc(C)nc2C(=O)N2CC(F)(F)C[C@@H](C)C2CNc2ccc(C(F)(F)F)cn2)c1
• InChI: InChI=1S/C24H24F5N5OS/c1-13-6-7-30-17(8-13)21-20(33-15(3)36-21)22(35)34-12-23(25,26)9-14(2)18(34)11-32-19-5-4-16(10-31-19)24(27,28)29/h4-8,10,14,18H,9,11-12H2,1-3H3,(H,31,32)/t14-,18?/m1/s1
• InChIKey: KQBQYLYWDFIQCZ-IKJXHCRLSA-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 [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone?

The IUPAC name of [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone (CID 130341885) is [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone.

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

The canonical SMILES for [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone is Cc1ccnc(-c2sc(C)nc2C(=O)N2CC(F)(F)C[C@@H](C)C2CNc2ccc(C(F)(F)F)cn2)c1.

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

The InChIKey is KQBQYLYWDFIQCZ-IKJXHCRLSA-N. The full InChI is InChI=1S/C24H24F5N5OS/c1-13-6-7-30-17(8-13)21-20(33-15(3)36-21)22(35)34-12-23(25,26)9-14(2)18(34)11-32-19-5-4-16(10-31-19)24(27,28)29/h4-8,10,14,18H,9,11-12H2,1-3H3,(H,31,32)/t14-,18?/m1/s1.

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

[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-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 [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 130341885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).