N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide

C25H32F3N5O5S — CID 162116430

About N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide

N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 162116430) has the molecular formula C25H32F3N5O5S and a molecular weight of 571.62 g/mol. Its IUPAC name is N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
• PubChem CID: 162116430
• Molecular Formula: C25H32F3N5O5S
• Molecular Weight: 571.62 g/mol
• Exact Mass: 571.21
• IUPAC Name: N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
• SMILES: CC(C)(O)C1CCN(c2nnc(CC(=O)c3ccc(OC(F)(F)F)c(NC(=O)CN4CCOCC4)c3)s2)CC1
• InChI: InChI=1S/C25H32F3N5O5S/c1-24(2,36)17-5-7-33(8-6-17)23-31-30-22(39-23)14-19(34)16-3-4-20(38-25(26,27)28)18(13-16)29-21(35)15-32-9-11-37-12-10-32/h3-4,13,17,36H,5-12,14-15H2,1-2H3,(H,29,35)
• InChIKey: ZGVCFRFCXDPTBI-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 117.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.62
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide?

The IUPAC name of N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide (CID 162116430) is N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide.

What is the SMILES notation for N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide?

The canonical SMILES for N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide is CC(C)(O)C1CCN(c2nnc(CC(=O)c3ccc(OC(F)(F)F)c(NC(=O)CN4CCOCC4)c3)s2)CC1.

What is the InChIKey of N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide?

The InChIKey is ZGVCFRFCXDPTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O5S/c1-24(2,36)17-5-7-33(8-6-17)23-31-30-22(39-23)14-19(34)16-3-4-20(38-25(26,27)28)18(13-16)29-21(35)15-32-9-11-37-12-10-32/h3-4,13,17,36H,5-12,14-15H2,1-2H3,(H,29,35).

What are the key properties of N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide?

N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 571.62 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 162116430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).