N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

C26H33F3N6O2S — CID 54756390

About N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (PubChem CID 54756390) has the molecular formula C26H33F3N6O2S and a molecular weight of 550.65 g/mol. Its IUPAC name is N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
• PubChem CID: 54756390
• Molecular Formula: C26H33F3N6O2S
• Molecular Weight: 550.65 g/mol
• Exact Mass: 550.23
• IUPAC Name: N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
• SMILES: CC(C)c1ncc(C2(O)CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1
• InChI: InChI=1S/C26H33F3N6O2S/c1-15(2)24-31-11-21(38-24)25(37)8-6-18(7-9-25)35-13-17(14-35)32-22(36)12-30-23-19-10-16(26(27,28)29)4-5-20(19)34(3)33-23/h4-5,10-11,15,17-18,37H,6-9,12-14H2,1-3H3,(H,30,33)(H,32,36)
• InChIKey: UGDVCIHWVXFLIO-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 95.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.65
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?

The IUPAC name of N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (CID 54756390) is N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

What is the SMILES notation for N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?

The canonical SMILES for N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is CC(C)c1ncc(C2(O)CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1.

What is the InChIKey of N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?

The InChIKey is UGDVCIHWVXFLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O2S/c1-15(2)24-31-11-21(38-24)25(37)8-6-18(7-9-25)35-13-17(14-35)32-22(36)12-30-23-19-10-16(26(27,28)29)4-5-20(19)34(3)33-23/h4-5,10-11,15,17-18,37H,6-9,12-14H2,1-3H3,(H,30,33)(H,32,36).

What are the key properties of N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?

N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide has a molecular weight of 550.65 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-hydroxy-4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is sourced from PubChem (CID 54756390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).