5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C14H20N4O2S — CID 166775151

IUPAC5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCCCC1CC(CC)C(n2c(=O)sc3cnc(N)nc32)O1
InChIInChI=1S/C14H20N4O2S/c1-3-5-9-6-8(4-2)12(20-9)18-11-10(21-14(18)19)7-16-13(15)17-11/h7-9,12H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyXSFIYTXXQFCYHI-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.55
Rot. Bonds4

About 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 166775151) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID166775151
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCCCC1CC(CC)C(n2c(=O)sc3cnc(N)nc32)O1
InChIInChI=1S/C14H20N4O2S/c1-3-5-9-6-8(4-2)12(20-9)18-11-10(21-14(18)19)7-16-13(15)17-11/h7-9,12H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyXSFIYTXXQFCYHI-UHFFFAOYSA-N
XLogP2.55
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 166775151) is 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one is CCCC1CC(CC)C(n2c(=O)sc3cnc(N)nc32)O1.
What is the InChIKey of 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is XSFIYTXXQFCYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-5-9-6-8(4-2)12(20-9)18-11-10(21-14(18)19)7-16-13(15)17-11/h7-9,12H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 308.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-ethyl-5-propyloxolan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 166775151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).