2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione

C7H11N3O3S — CID 130141388

IUPAC2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCOC1NC2NC(=O)NC(=O)C2S1
InChIInChI=1S/C7H11N3O3S/c1-2-13-7-9-4-3(14-7)5(11)10-6(12)8-4/h3-4,7,9H,2H2,1H3,(H2,8,10,11,12)
InChIKeyWAIREFZOUBXNLX-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.82
Rot. Bonds2

About 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione

2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 130141388) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID130141388
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCOC1NC2NC(=O)NC(=O)C2S1
InChIInChI=1S/C7H11N3O3S/c1-2-13-7-9-4-3(14-7)5(11)10-6(12)8-4/h3-4,7,9H,2H2,1H3,(H2,8,10,11,12)
InChIKeyWAIREFZOUBXNLX-UHFFFAOYSA-N
XLogP-0.82
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione (CID 130141388) is 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione is CCOC1NC2NC(=O)NC(=O)C2S1.
What is the InChIKey of 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is WAIREFZOUBXNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-2-13-7-9-4-3(14-7)5(11)10-6(12)8-4/h3-4,7,9H,2H2,1H3,(H2,8,10,11,12).
What are the key properties of 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione?
2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 217.25 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3a,4,7a-tetrahydro-2H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 130141388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).