6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

C9H9N3O4S — CID 121199640

IUPAC6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCOCCn1cnc2c(C(=O)O)snc2c1=O
InChIInChI=1S/C9H9N3O4S/c1-16-3-2-12-4-10-5-6(8(12)13)11-17-7(5)9(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyVMNYUVYOBDDMLX-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.20
Rot. Bonds4

About 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 121199640) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID121199640
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCOCCn1cnc2c(C(=O)O)snc2c1=O
InChIInChI=1S/C9H9N3O4S/c1-16-3-2-12-4-10-5-6(8(12)13)11-17-7(5)9(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyVMNYUVYOBDDMLX-UHFFFAOYSA-N
XLogP0.20
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 121199640) is 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is COCCn1cnc2c(C(=O)O)snc2c1=O.
What is the InChIKey of 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is VMNYUVYOBDDMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c1-16-3-2-12-4-10-5-6(8(12)13)11-17-7(5)9(14)15/h4H,2-3H2,1H3,(H,14,15).
What are the key properties of 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 121199640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).