5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

C9H12N4O5S — CID 135508875

IUPAC5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
SMILESNc1nc2c(sc(=O)n2COC(CO)CO)c(=O)[nH]1
InChIInChI=1S/C9H12N4O5S/c10-8-11-6-5(7(16)12-8)19-9(17)13(6)3-18-4(1-14)2-15/h4,14-15H,1-3H2,(H3,10,11,12,16)
InChIKeyRYSMBRAGHSNNJS-UHFFFAOYSA-N
MW288.29 g/mol
LogP-1.94
Rot. Bonds5

About 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (PubChem CID 135508875) has the molecular formula C9H12N4O5S and a molecular weight of 288.29 g/mol. Its IUPAC name is 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
PubChem CID135508875
Molecular FormulaC9H12N4O5S
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
SMILESNc1nc2c(sc(=O)n2COC(CO)CO)c(=O)[nH]1
InChIInChI=1S/C9H12N4O5S/c10-8-11-6-5(7(16)12-8)19-9(17)13(6)3-18-4(1-14)2-15/h4,14-15H,1-3H2,(H3,10,11,12,16)
InChIKeyRYSMBRAGHSNNJS-UHFFFAOYSA-N
XLogP-1.94
TPSA143.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The IUPAC name of 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (CID 135508875) is 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.
What is the SMILES notation for 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The canonical SMILES for 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is Nc1nc2c(sc(=O)n2COC(CO)CO)c(=O)[nH]1.
What is the InChIKey of 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The InChIKey is RYSMBRAGHSNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5S/c10-8-11-6-5(7(16)12-8)19-9(17)13(6)3-18-4(1-14)2-15/h4,14-15H,1-3H2,(H3,10,11,12,16).
What are the key properties of 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione has a molecular weight of 288.29 g/mol, XLogP of -1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1,3-dihydroxypropan-2-yloxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 135508875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).