7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

C7H5N3O3S — CID 83885339

IUPAC7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESNc1cc(=O)n2cc(C(=O)O)sc2n1
InChIInChI=1S/C7H5N3O3S/c8-4-1-5(11)10-2-3(6(12)13)14-7(10)9-4/h1-2H,8H2,(H,12,13)
InChIKeyXPWYJBUOJYXQFG-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.04
Rot. Bonds1

About 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (PubChem CID 83885339) has the molecular formula C7H5N3O3S and a molecular weight of 211.20 g/mol. Its IUPAC name is 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
PubChem CID83885339
Molecular FormulaC7H5N3O3S
Molecular Weight211.20 g/mol
Exact Mass211.01
IUPAC Name7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
SMILESNc1cc(=O)n2cc(C(=O)O)sc2n1
InChIInChI=1S/C7H5N3O3S/c8-4-1-5(11)10-2-3(6(12)13)14-7(10)9-4/h1-2H,8H2,(H,12,13)
InChIKeyXPWYJBUOJYXQFG-UHFFFAOYSA-N
XLogP0.04
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid (CID 83885339) is 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is Nc1cc(=O)n2cc(C(=O)O)sc2n1.
What is the InChIKey of 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is XPWYJBUOJYXQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3S/c8-4-1-5(11)10-2-3(6(12)13)14-7(10)9-4/h1-2H,8H2,(H,12,13).
What are the key properties of 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid?
7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 211.20 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 83885339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).