3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H9N3O4S2 — CID 43172189

IUPAC3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H9N3O4S2/c15-8-6(3-12-11-13(8)1-2-20-11)9(16)14-5-19-4-7(14)10(17)18/h1-3,7H,4-5H2,(H,17,18)
InChIKeyXBFYFJBIAUNJDG-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.36
Rot. Bonds2

About 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172189) has the molecular formula C11H9N3O4S2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172189
Molecular FormulaC11H9N3O4S2
Molecular Weight311.34 g/mol
Exact Mass311.00
IUPAC Name3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H9N3O4S2/c15-8-6(3-12-11-13(8)1-2-20-11)9(16)14-5-19-4-7(14)10(17)18/h1-3,7H,4-5H2,(H,17,18)
InChIKeyXBFYFJBIAUNJDG-UHFFFAOYSA-N
XLogP0.36
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 10853500
CID 10853500
CID 23242084
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CID 43353415
CID 43353415
CID 43353470
CID 43353470
CID 43354492
CID 43354492
CID 43355304
CID 43355304
CID 43355358
CID 43355358
CID 43355579
CID 43355579
CID 43356259
CID 43356259
CID 43356314
CID 43356314
CID 43359453
CID 43359453
CID 43469426
CID 43469426

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43172189) is 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XBFYFJBIAUNJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S2/c15-8-6(3-12-11-13(8)1-2-20-11)9(16)14-5-19-4-7(14)10(17)18/h1-3,7H,4-5H2,(H,17,18).
What are the key properties of 3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 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)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).