3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid

C12H11N3O5S — CID 64889397

IUPAC3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H11N3O5S/c16-8(14-12(10(18)19)1-3-20-6-12)7-5-13-11-15(9(7)17)2-4-21-11/h2,4-5H,1,3,6H2,(H,14,16)(H,18,19)
InChIKeyPQIOTBUMUYMYPN-UHFFFAOYSA-N
MW309.30 g/mol
LogP-0.27
Rot. Bonds3

About 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid

3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889397) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64889397
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H11N3O5S/c16-8(14-12(10(18)19)1-3-20-6-12)7-5-13-11-15(9(7)17)2-4-21-11/h2,4-5H,1,3,6H2,(H,14,16)(H,18,19)
InChIKeyPQIOTBUMUYMYPN-UHFFFAOYSA-N
XLogP-0.27
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid (CID 64889397) is 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1cnc2sccn2c1=O.
What is the InChIKey of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is PQIOTBUMUYMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c16-8(14-12(10(18)19)1-3-20-6-12)7-5-13-11-15(9(7)17)2-4-21-11/h2,4-5H,1,3,6H2,(H,14,16)(H,18,19).
What are the key properties of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 309.30 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).