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

C16H16N4O2S — CID 66780027

IUPAC4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1ncn(Cc2ccccc2)c2nc(N3CCOCC3)sc12
InChIInChI=1S/C16H16N4O2S/c21-15-13-14(18-16(23-13)19-6-8-22-9-7-19)20(11-17-15)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyOMCAJEKCFXIKMN-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.74
Rot. Bonds3

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

4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780027) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780027
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1ncn(Cc2ccccc2)c2nc(N3CCOCC3)sc12
InChIInChI=1S/C16H16N4O2S/c21-15-13-14(18-16(23-13)19-6-8-22-9-7-19)20(11-17-15)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyOMCAJEKCFXIKMN-UHFFFAOYSA-N
XLogP1.74
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780027) is 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1ncn(Cc2ccccc2)c2nc(N3CCOCC3)sc12.
What is the InChIKey of 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is OMCAJEKCFXIKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-15-13-14(18-16(23-13)19-6-8-22-9-7-19)20(11-17-15)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2.
What are the key properties of 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 328.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).