ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate

C8H7N3O3S — CID 135469010

IUPACethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1nsc2c(=O)[nH]cnc12
InChIInChI=1S/C8H7N3O3S/c1-2-14-8(13)5-4-6(15-11-5)7(12)10-3-9-4/h3H,2H2,1H3,(H,9,10,12)
InChIKeyYLVLDMWKTTTWNN-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.56
Rot. Bonds2

About ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate

ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate (PubChem CID 135469010) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate
PubChem CID135469010
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Nameethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1nsc2c(=O)[nH]cnc12
InChIInChI=1S/C8H7N3O3S/c1-2-14-8(13)5-4-6(15-11-5)7(12)10-3-9-4/h3H,2H2,1H3,(H,9,10,12)
InChIKeyYLVLDMWKTTTWNN-UHFFFAOYSA-N
XLogP0.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate (CID 135469010) is ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate is CCOC(=O)c1nsc2c(=O)[nH]cnc12.
What is the InChIKey of ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate?
The InChIKey is YLVLDMWKTTTWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-2-14-8(13)5-4-6(15-11-5)7(12)10-3-9-4/h3H,2H2,1H3,(H,9,10,12).
What are the key properties of ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate?
ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate has a molecular weight of 225.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 135469010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).