1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea

C23H30N6O4S — CID 72713308

IUPAC1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(-c3ccc(OCCN(C)C)nc3)c(OCC3CCOC3)nc2s1
InChIInChI=1S/C23H30N6O4S/c1-4-24-22(30)28-23-26-18-11-17(16-5-6-19(25-12-16)32-10-8-29(2)3)20(27-21(18)34-23)33-14-15-7-9-31-13-15/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,26,28,30)
InChIKeyCVVCAVDFCYVKTH-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.25
Rot. Bonds10

About 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea

1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea (PubChem CID 72713308) has the molecular formula C23H30N6O4S and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea
PubChem CID72713308
Molecular FormulaC23H30N6O4S
Molecular Weight486.60 g/mol
Exact Mass486.20
IUPAC Name1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(-c3ccc(OCCN(C)C)nc3)c(OCC3CCOC3)nc2s1
InChIInChI=1S/C23H30N6O4S/c1-4-24-22(30)28-23-26-18-11-17(16-5-6-19(25-12-16)32-10-8-29(2)3)20(27-21(18)34-23)33-14-15-7-9-31-13-15/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,26,28,30)
InChIKeyCVVCAVDFCYVKTH-UHFFFAOYSA-N
XLogP3.25
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea 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-[6-(5-Methoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1h-Imidazol-4-Yl)ethyl]urea
CID 73659199
(7R,11R)-8-ethyl-3-methoxy-7-methyl-11-(2-methyl-1,3-thiazol-5-yl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
CID 167047234
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
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-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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea?
The IUPAC name of 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea (CID 72713308) is 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea?
The canonical SMILES for 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2cc(-c3ccc(OCCN(C)C)nc3)c(OCC3CCOC3)nc2s1.
What is the InChIKey of 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea?
The InChIKey is CVVCAVDFCYVKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4S/c1-4-24-22(30)28-23-26-18-11-17(16-5-6-19(25-12-16)32-10-8-29(2)3)20(27-21(18)34-23)33-14-15-7-9-31-13-15/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,26,28,30).
What are the key properties of 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea?
1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea has a molecular weight of 486.60 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-ethylurea is sourced from PubChem (CID 72713308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).