[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C26H24F3N5O2S2 — CID 144984265

About [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 144984265) has the molecular formula C26H24F3N5O2S2 and a molecular weight of 559.64 g/mol. Its IUPAC name is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• PubChem CID: 144984265
• Molecular Formula: C26H24F3N5O2S2
• Molecular Weight: 559.64 g/mol
• Exact Mass: 559.13
• IUPAC Name: [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• SMILES: Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCC(O)(c5ccc(C(F)(F)F)cc5)CC4)cn3)n2)s1
• InChI: InChI=1S/C26H24F3N5O2S2/c1-15-22(38-16(2)31-15)20-14-37-24(32-20)33-21-8-3-17(13-30-21)23(35)34-11-9-25(36,10-12-34)18-4-6-19(7-5-18)26(27,28)29/h3-8,13-14,36H,9-12H2,1-2H3,(H,30,32,33)
• InChIKey: BPZKYCQUTVPZRC-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 91.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.64
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 144984265) is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

What is the SMILES notation for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The canonical SMILES for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCC(O)(c5ccc(C(F)(F)F)cc5)CC4)cn3)n2)s1.

What is the InChIKey of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The InChIKey is BPZKYCQUTVPZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2S2/c1-15-22(38-16(2)31-15)20-14-37-24(32-20)33-21-8-3-17(13-30-21)23(35)34-11-9-25(36,10-12-34)18-4-6-19(7-5-18)26(27,28)29/h3-8,13-14,36H,9-12H2,1-2H3,(H,30,32,33).

What are the key properties of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 559.64 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 144984265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).