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

C20H23N5O4S — CID 72713515

IUPAC1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)c(OCC3CCOC3)nc2s1
InChIInChI=1S/C20H23N5O4S/c1-3-21-19(27)24-20-22-15-9-14(13-4-6-25(2)16(26)8-13)17(23-18(15)30-20)29-11-12-5-7-28-10-12/h4,6,8-9,12H,3,5,7,10-11H2,1-2H3,(H2,21,22,24,27)
InChIKeyAGSYKJIWHRFWAL-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.61
Rot. Bonds6

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

1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 72713515) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID72713515
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)c(OCC3CCOC3)nc2s1
InChIInChI=1S/C20H23N5O4S/c1-3-21-19(27)24-20-22-15-9-14(13-4-6-25(2)16(26)8-13)17(23-18(15)30-20)29-11-12-5-7-28-10-12/h4,6,8-9,12H,3,5,7,10-11H2,1-2H3,(H2,21,22,24,27)
InChIKeyAGSYKJIWHRFWAL-UHFFFAOYSA-N
XLogP2.61
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-{5-[2-(Morpholin-4-Yl)ethoxy]-6-(Pyridin-3-Yl)[1,3]thiazolo[5,4-B]pyridin-2-Yl}-3-Prop-2-En-1-Ylurea
CID 59352802
1-Ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 72713518
1-Ethyl-3-[6-pyrimidin-5-yl-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352787
1-Ethyl-3-[6-(6-fluoro-3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352798
1-Ethyl-3-(5-(2-methoxyethoxy)-6-(pyrimidin-5-yl)thiazolo[5,4-b]pyridin-2-yl)urea
CID 59352805
1-Ethyl-3-[6-(3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352812
1-Allyl-3-[5-(2-methoxyethoxy)-6-(3-pyridyl)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352819
1-[6-(6-Cyano-3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]-3-ethyl-urea
CID 59352824
1-Ethyl-3-[5-(2-methoxyethoxy)-6-(3-pyridyl)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352825
1-Ethyl-3-[5-(oxan-4-ylmethoxy)-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352842
1-Ethyl-3-[6-(1-methylpyrazol-4-yl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352843
1-Ethyl-3-[6-(5-fluoro-3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352845

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 72713515) is 1-ethyl-3-[6-(1-methyl-2-oxo-4-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-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)c(OCC3CCOC3)nc2s1.
What is the InChIKey of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is AGSYKJIWHRFWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-3-21-19(27)24-20-22-15-9-14(13-4-6-25(2)16(26)8-13)17(23-18(15)30-20)29-11-12-5-7-28-10-12/h4,6,8-9,12H,3,5,7,10-11H2,1-2H3,(H2,21,22,24,27).
What are the key properties of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 429.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 72713515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).