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

C8H10N4O4S — CID 135508874

IUPAC5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
SMILESNc1nc2c(sc(=O)n2COCCO)c(=O)[nH]1
InChIInChI=1S/C8H10N4O4S/c9-7-10-5-4(6(14)11-7)17-8(15)12(5)3-16-2-1-13/h13H,1-3H2,(H3,9,10,11,14)
InChIKeyNSGDRUPUQOPKHY-UHFFFAOYSA-N
MW258.26 g/mol
LogP-1.31
Rot. Bonds4

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

5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (PubChem CID 135508874) has the molecular formula C8H10N4O4S and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
PubChem CID135508874
Molecular FormulaC8H10N4O4S
Molecular Weight258.26 g/mol
Exact Mass258.04
IUPAC Name5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
SMILESNc1nc2c(sc(=O)n2COCCO)c(=O)[nH]1
InChIInChI=1S/C8H10N4O4S/c9-7-10-5-4(6(14)11-7)17-8(15)12(5)3-16-2-1-13/h13H,1-3H2,(H3,9,10,11,14)
InChIKeyNSGDRUPUQOPKHY-UHFFFAOYSA-N
XLogP-1.31
TPSA123.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The IUPAC name of 5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (CID 135508874) is 5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.
What is the SMILES notation for 5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The canonical SMILES for 5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is Nc1nc2c(sc(=O)n2COCCO)c(=O)[nH]1.
What is the InChIKey of 5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The InChIKey is NSGDRUPUQOPKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4S/c9-7-10-5-4(6(14)11-7)17-8(15)12(5)3-16-2-1-13/h13H,1-3H2,(H3,9,10,11,14).
What are the key properties of 5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione has a molecular weight of 258.26 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-hydroxyethoxymethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 135508874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).