N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

C26H30F6N6O2S — CID 54755677

About N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (PubChem CID 54755677) has the molecular formula C26H30F6N6O2S and a molecular weight of 604.62 g/mol. Its IUPAC name is N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
• PubChem CID: 54755677
• Molecular Formula: C26H30F6N6O2S
• Molecular Weight: 604.62 g/mol
• Exact Mass: 604.21
• IUPAC Name: N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
• SMILES: CCc1ncc(C2(O)CCC(N3CC(NC(=O)CNc4nn(CC(F)(F)F)c5ccc(C(F)(F)F)cc45)C3)CC2)s1
• InChI: InChI=1S/C26H30F6N6O2S/c1-2-22-33-10-20(41-22)24(40)7-5-17(6-8-24)37-12-16(13-37)35-21(39)11-34-23-18-9-15(26(30,31)32)3-4-19(18)38(36-23)14-25(27,28)29/h3-4,9-10,16-17,40H,2,5-8,11-14H2,1H3,(H,34,36)(H,35,39)
• InChIKey: PNGRGZNQQUBVGF-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 95.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.62
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?

The IUPAC name of N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (CID 54755677) is N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

What is the SMILES notation for N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?

The canonical SMILES for N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is CCc1ncc(C2(O)CCC(N3CC(NC(=O)CNc4nn(CC(F)(F)F)c5ccc(C(F)(F)F)cc45)C3)CC2)s1.

What is the InChIKey of N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?

The InChIKey is PNGRGZNQQUBVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F6N6O2S/c1-2-22-33-10-20(41-22)24(40)7-5-17(6-8-24)37-12-16(13-37)35-21(39)11-34-23-18-9-15(26(30,31)32)3-4-19(18)38(36-23)14-25(27,28)29/h3-4,9-10,16-17,40H,2,5-8,11-14H2,1H3,(H,34,36)(H,35,39).

What are the key properties of N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?

N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide has a molecular weight of 604.62 g/mol, XLogP of 4.68, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexyl]azetidin-3-yl]-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is sourced from PubChem (CID 54755677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).