1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea

C26H32N8O3S — CID 68639660

About 1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea

1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea (PubChem CID 68639660) has the molecular formula C26H32N8O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is 1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea.

Molecular Properties

• Compound Name: 1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea
• PubChem CID: 68639660
• Molecular Formula: C26H32N8O3S
• Molecular Weight: 536.66 g/mol
• Exact Mass: 536.23
• IUPAC Name: 1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea
• SMILES: CCNC(=O)Nc1cc(-c2nc(C)cs2)c(-c2cc(-c3nnc(C)o3)cnc2OCCN(CC)CC)cn1
• InChI: InChI=1S/C26H32N8O3S/c1-6-27-26(35)31-22-12-20(25-30-16(4)15-38-25)21(14-28-22)19-11-18(23-33-32-17(5)37-23)13-29-24(19)36-10-9-34(7-2)8-3/h11-15H,6-10H2,1-5H3,(H2,27,28,31,35)
• InChIKey: UKGAVWZMYFCOAH-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 131.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.66
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea (CID 68639660) is 1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea.

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

The canonical SMILES for 1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2nc(C)cs2)c(-c2cc(-c3nnc(C)o3)cnc2OCCN(CC)CC)cn1.

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

The InChIKey is UKGAVWZMYFCOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3S/c1-6-27-26(35)31-22-12-20(25-30-16(4)15-38-25)21(14-28-22)19-11-18(23-33-32-17(5)37-23)13-29-24(19)36-10-9-34(7-2)8-3/h11-15H,6-10H2,1-5H3,(H2,27,28,31,35).

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

1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea has a molecular weight of 536.66 g/mol, XLogP of 4.80, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[2-(diethylamino)ethoxy]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 68639660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).