1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea

C26H27F3N8O2S — CID 77260260

About 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea

1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea (PubChem CID 77260260) has the molecular formula C26H27F3N8O2S and a molecular weight of 572.62 g/mol. Its IUPAC name is 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea.

Molecular Properties

• Compound Name: 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
• PubChem CID: 77260260
• Molecular Formula: C26H27F3N8O2S
• Molecular Weight: 572.62 g/mol
• Exact Mass: 572.19
• IUPAC Name: 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
• SMILES: CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nnc(C(N)C4CCCCC4)o3)c2)cn1
• InChI: InChI=1S/C26H27F3N8O2S/c1-2-32-25(38)35-20-9-17(24-34-19(13-40-24)26(27,28)29)18(12-33-20)15-8-16(11-31-10-15)22-36-37-23(39-22)21(30)14-6-4-3-5-7-14/h8-14,21H,2-7,30H2,1H3,(H2,32,33,35,38)
• InChIKey: OCHFDWVELZYLJD-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 144.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.62
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?

The IUPAC name of 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea (CID 77260260) is 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea.

What is the SMILES notation for 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?

The canonical SMILES for 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nnc(C(N)C4CCCCC4)o3)c2)cn1.

What is the InChIKey of 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?

The InChIKey is OCHFDWVELZYLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N8O2S/c1-2-32-25(38)35-20-9-17(24-34-19(13-40-24)26(27,28)29)18(12-33-20)15-8-16(11-31-10-15)22-36-37-23(39-22)21(30)14-6-4-3-5-7-14/h8-14,21H,2-7,30H2,1H3,(H2,32,33,35,38).

What are the key properties of 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?

1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea has a molecular weight of 572.62 g/mol, XLogP of 6.06, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[5-[5-[amino(cyclohexyl)methyl]-1,3,4-oxadiazol-2-yl]-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 77260260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).