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

C19H21N5O3S — CID 59352812

IUPAC1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCC3CCOC3)nc2s1
InChIInChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-8-14(13-4-3-6-20-9-13)16(23-17(15)28-19)27-11-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10-11H2,1H3,(H2,21,22,24,25)
InChIKeyVKXYARKCCDVKTJ-UHFFFAOYSA-N
MW399.48 g/mol
LogP3.31
Rot. Bonds6

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

1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 59352812) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID59352812
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCC3CCOC3)nc2s1
InChIInChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-8-14(13-4-3-6-20-9-13)16(23-17(15)28-19)27-11-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10-11H2,1H3,(H2,21,22,24,25)
InChIKeyVKXYARKCCDVKTJ-UHFFFAOYSA-N
XLogP3.31
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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-methyl-2-oxo-4-pyridinyl)-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 72713515
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
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)thiazolo[5,4-b]pyridin-2-amine
CID 46882517
N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine
CID 58548590
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-(5-methoxy-6-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
CID 59352810
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 59352812) is 1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCC3CCOC3)nc2s1.
What is the InChIKey of 1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is VKXYARKCCDVKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-8-14(13-4-3-6-20-9-13)16(23-17(15)28-19)27-11-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10-11H2,1H3,(H2,21,22,24,25).
What are the key properties of 1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 399.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(oxolan-3-ylmethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 59352812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).