2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C15H16N4O2S — CID 45493327

IUPAC2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2cccnc2)c2sc(N3CCOCC3)nc2N1
InChIInChI=1S/C15H16N4O2S/c20-12-8-11(10-2-1-3-16-9-10)13-14(17-12)18-15(22-13)19-4-6-21-7-5-19/h1-3,9,11H,4-8H2,(H,17,20)
InChIKeyGUTONLCWSBXLOP-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.85
Rot. Bonds2

About 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 45493327) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID45493327
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2cccnc2)c2sc(N3CCOCC3)nc2N1
InChIInChI=1S/C15H16N4O2S/c20-12-8-11(10-2-1-3-16-9-10)13-14(17-12)18-15(22-13)19-4-6-21-7-5-19/h1-3,9,11H,4-8H2,(H,17,20)
InChIKeyGUTONLCWSBXLOP-UHFFFAOYSA-N
XLogP1.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 45493327) is 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is O=C1CC(c2cccnc2)c2sc(N3CCOCC3)nc2N1.
What is the InChIKey of 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is GUTONLCWSBXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-12-8-11(10-2-1-3-16-9-10)13-14(17-12)18-15(22-13)19-4-6-21-7-5-19/h1-3,9,11H,4-8H2,(H,17,20).
What are the key properties of 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 316.39 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45493327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).