1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea

C20H23N5O3S — CID 72713304

About 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea

1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 72713304) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
• PubChem CID: 72713304
• Molecular Formula: C20H23N5O3S
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.15
• IUPAC Name: 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
• SMILES: CCNC(=O)Nc1nc2cc(-c3ccc(C)nc3)c(OCC3CCOC3)nc2s1
• InChI: InChI=1S/C20H23N5O3S/c1-3-21-19(26)25-20-23-16-8-15(14-5-4-12(2)22-9-14)17(24-18(16)29-20)28-11-13-6-7-27-10-13/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H2,21,23,25,26)
• InChIKey: UAKSVFADNNVFPA-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 98.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.50
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?

The IUPAC name of 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 72713304) is 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

What is the SMILES notation for 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?

The canonical SMILES for 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3ccc(C)nc3)c(OCC3CCOC3)nc2s1.

What is the InChIKey of 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?

The InChIKey is UAKSVFADNNVFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-3-21-19(26)25-20-23-16-8-15(14-5-4-12(2)22-9-14)17(24-18(16)29-20)28-11-13-6-7-27-10-13/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H2,21,23,25,26).

What are the key properties of 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?

1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 413.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[6-(6-methyl-3-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 72713304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).