2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate

C10H12N4O5S — CID 135987381

IUPAC2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate
SMILESCC(=O)OCCOCn1c(=O)sc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H12N4O5S/c1-5(15)19-3-2-18-4-14-7-6(20-10(14)17)8(16)13-9(11)12-7/h2-4H2,1H3,(H3,11,12,13,16)
InChIKeyNSKZYAXYZDEZRU-UHFFFAOYSA-N
MW300.30 g/mol
LogP-0.73
Rot. Bonds5

About 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate

2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate (PubChem CID 135987381) has the molecular formula C10H12N4O5S and a molecular weight of 300.30 g/mol. Its IUPAC name is 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate.

Molecular Properties

Compound Name2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate
PubChem CID135987381
Molecular FormulaC10H12N4O5S
Molecular Weight300.30 g/mol
Exact Mass300.05
IUPAC Name2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate
SMILESCC(=O)OCCOCn1c(=O)sc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H12N4O5S/c1-5(15)19-3-2-18-4-14-7-6(20-10(14)17)8(16)13-9(11)12-7/h2-4H2,1H3,(H3,11,12,13,16)
InChIKeyNSKZYAXYZDEZRU-UHFFFAOYSA-N
XLogP-0.73
TPSA129.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate with MolForge

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Related Compounds

5-amino-3-(2-hydroxyethoxymethyl)-6H-thiazolo[4,5-d]pyrimidine-2,7-dione
CID 135508874
5-Amino-3-(4-acetoxybutyl)thiazolo[4,5-d]pyrimidine-2,7(3H,6H)-dione
CID 135752745
[(2S,3R)-3-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]-4-hydroxybutan-2-yl] acetate
CID 136633114

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate?
The IUPAC name of 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate (CID 135987381) is 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate.
What is the SMILES notation for 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate?
The canonical SMILES for 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate is CC(=O)OCCOCn1c(=O)sc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate?
The InChIKey is NSKZYAXYZDEZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5S/c1-5(15)19-3-2-18-4-14-7-6(20-10(14)17)8(16)13-9(11)12-7/h2-4H2,1H3,(H3,11,12,13,16).
What are the key properties of 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate?
2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate has a molecular weight of 300.30 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)methoxy]ethyl acetate is sourced from PubChem (CID 135987381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).