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

C19H21N5O3S — CID 72713295

IUPAC1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(OC3CCOCC3)nc2s1
InChIInChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-10-14(12-4-3-7-20-11-12)16(23-17(15)28-19)27-13-5-8-26-9-6-13/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H2,21,22,24,25)
InChIKeyNXMARHJZTJRAHQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP3.45
Rot. Bonds5

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

1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 72713295) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID72713295
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(OC3CCOCC3)nc2s1
InChIInChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-10-14(12-4-3-7-20-11-12)16(23-17(15)28-19)27-13-5-8-26-9-6-13/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H2,21,22,24,25)
InChIKeyNXMARHJZTJRAHQ-UHFFFAOYSA-N
XLogP3.45
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 72713295) is 1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OC3CCOCC3)nc2s1.
What is the InChIKey of 1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is NXMARHJZTJRAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-10-14(12-4-3-7-20-11-12)16(23-17(15)28-19)27-13-5-8-26-9-6-13/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H2,21,22,24,25).
What are the key properties of 1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
1-ethyl-3-[5-(oxan-4-yloxy)-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 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(oxan-4-yloxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 72713295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).