5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C10H12N4O3S2 — CID 130287947

IUPAC5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCc1nc(N)nc2c1sc(=O)n2C1CSC(CO)O1
InChIInChI=1S/C10H12N4O3S2/c1-4-7-8(13-9(11)12-4)14(10(16)19-7)5-3-18-6(2-15)17-5/h5-6,15H,2-3H2,1H3,(H2,11,12,13)
InChIKeyQVKHNRLYBVSHPD-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.32
Rot. Bonds2

About 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 130287947) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID130287947
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCc1nc(N)nc2c1sc(=O)n2C1CSC(CO)O1
InChIInChI=1S/C10H12N4O3S2/c1-4-7-8(13-9(11)12-4)14(10(16)19-7)5-3-18-6(2-15)17-5/h5-6,15H,2-3H2,1H3,(H2,11,12,13)
InChIKeyQVKHNRLYBVSHPD-UHFFFAOYSA-N
XLogP0.32
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 130287947) is 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one is Cc1nc(N)nc2c1sc(=O)n2C1CSC(CO)O1.
What is the InChIKey of 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is QVKHNRLYBVSHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-4-7-8(13-9(11)12-4)14(10(16)19-7)5-3-18-6(2-15)17-5/h5-6,15H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 300.37 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 130287947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).