1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea

C25H25F3N8O5S — CID 67288690

About 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea

1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea (PubChem CID 67288690) has the molecular formula C25H25F3N8O5S and a molecular weight of 606.59 g/mol. Its IUPAC name is 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
• PubChem CID: 67288690
• Molecular Formula: C25H25F3N8O5S
• Molecular Weight: 606.59 g/mol
• Exact Mass: 606.16
• IUPAC Name: 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
• SMILES: CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2OCCN2CCOCC2)cn1
• InChI: InChI=1S/C25H25F3N8O5S/c1-2-29-23(37)33-19-10-16(22-32-18(13-42-22)25(26,27)28)17(12-30-19)15-9-14(20-34-35-24(38)41-20)11-31-21(15)40-8-5-36-3-6-39-7-4-36/h9-13H,2-8H2,1H3,(H,35,38)(H2,29,30,33,37)
• InChIKey: CLPKNWYAIDEKPT-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 160.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.59
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?

The IUPAC name of 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea (CID 67288690) is 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea.

What is the SMILES notation for 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?

The canonical SMILES for 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2OCCN2CCOCC2)cn1.

What is the InChIKey of 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?

The InChIKey is CLPKNWYAIDEKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O5S/c1-2-29-23(37)33-19-10-16(22-32-18(13-42-22)25(26,27)28)17(12-30-19)15-9-14(20-34-35-24(38)41-20)11-31-21(15)40-8-5-36-3-6-39-7-4-36/h9-13H,2-8H2,1H3,(H,35,38)(H2,29,30,33,37).

What are the key properties of 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?

1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea has a molecular weight of 606.59 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[5-[2-(2-morpholin-4-ylethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea is sourced from PubChem (CID 67288690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).