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

C8H7N3O3S — CID 121199637

IUPAC6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCCn1cnc2c(C(=O)O)snc2c1=O
InChIInChI=1S/C8H7N3O3S/c1-2-11-3-9-4-5(7(11)12)10-15-6(4)8(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyIANHDGBXIPCEMD-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.57
Rot. Bonds2

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

6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 121199637) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is 6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID121199637
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCCn1cnc2c(C(=O)O)snc2c1=O
InChIInChI=1S/C8H7N3O3S/c1-2-11-3-9-4-5(7(11)12)10-15-6(4)8(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyIANHDGBXIPCEMD-UHFFFAOYSA-N
XLogP0.57
TPSA85.08 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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 121199637) is 6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is CCn1cnc2c(C(=O)O)snc2c1=O.
What is the InChIKey of 6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is IANHDGBXIPCEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-2-11-3-9-4-5(7(11)12)10-15-6(4)8(13)14/h3H,2H2,1H3,(H,13,14).
What are the key properties of 6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 225.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 121199637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).