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

C25H32N6O5S — CID 72713310

IUPAC1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cncc(OCCN4CCOCC4)c3)c(OCC3CCOC3)nc2s1
InChIInChI=1S/C25H32N6O5S/c1-2-27-24(32)30-25-28-21-12-20(22(29-23(21)37-25)36-16-17-3-7-34-15-17)18-11-19(14-26-13-18)35-10-6-31-4-8-33-9-5-31/h11-14,17H,2-10,15-16H2,1H3,(H2,27,28,30,32)
InChIKeyAZVOQBVEWXMNPO-UHFFFAOYSA-N
MW528.64 g/mol
LogP3.02
Rot. Bonds10

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

1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 72713310) has the molecular formula C25H32N6O5S and a molecular weight of 528.64 g/mol. Its IUPAC name is 1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID72713310
Molecular FormulaC25H32N6O5S
Molecular Weight528.64 g/mol
Exact Mass528.22
IUPAC Name1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cncc(OCCN4CCOCC4)c3)c(OCC3CCOC3)nc2s1
InChIInChI=1S/C25H32N6O5S/c1-2-27-24(32)30-25-28-21-12-20(22(29-23(21)37-25)36-16-17-3-7-34-15-17)18-11-19(14-26-13-18)35-10-6-31-4-8-33-9-5-31/h11-14,17H,2-10,15-16H2,1H3,(H2,27,28,30,32)
InChIKeyAZVOQBVEWXMNPO-UHFFFAOYSA-N
XLogP3.02
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.64
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 72713310) is 1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-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-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cncc(OCCN4CCOCC4)c3)c(OCC3CCOC3)nc2s1.
What is the InChIKey of 1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is AZVOQBVEWXMNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O5S/c1-2-27-24(32)30-25-28-21-12-20(22(29-23(21)37-25)36-16-17-3-7-34-15-17)18-11-19(14-26-13-18)35-10-6-31-4-8-33-9-5-31/h11-14,17H,2-10,15-16H2,1H3,(H2,27,28,30,32).
What are the key properties of 1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 528.64 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[5-(2-morpholin-4-ylethoxy)-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 72713310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).