2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C9H10N4O2S — CID 135455532

IUPAC2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(N3CCOCC3)sc12
InChIInChI=1S/C9H10N4O2S/c14-8-6-7(10-5-11-8)12-9(16-6)13-1-3-15-4-2-13/h5H,1-4H2,(H,10,11,14)
InChIKeyYPPKOCJXHFAZOC-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.22
Rot. Bonds1

About 2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 135455532) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID135455532
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(N3CCOCC3)sc12
InChIInChI=1S/C9H10N4O2S/c14-8-6-7(10-5-11-8)12-9(16-6)13-1-3-15-4-2-13/h5H,1-4H2,(H,10,11,14)
InChIKeyYPPKOCJXHFAZOC-UHFFFAOYSA-N
XLogP0.22
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.22
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-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 135455532) is 2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1[nH]cnc2nc(N3CCOCC3)sc12.
What is the InChIKey of 2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is YPPKOCJXHFAZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c14-8-6-7(10-5-11-8)12-9(16-6)13-1-3-15-4-2-13/h5H,1-4H2,(H,10,11,14).
What are the key properties of 2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 238.27 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135455532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).