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

C11H9N3O4S2 — CID 61143309

IUPAC(4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=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)/t7-/m0/s1
InChIKeyXBFYFJBIAUNJDG-ZETCQYMHSA-N
MW311.34 g/mol
LogP0.36
Rot. Bonds2

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

(4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143309) has the molecular formula C11H9N3O4S2 and a molecular weight of 311.34 g/mol. Its IUPAC name is (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143309
Molecular FormulaC11H9N3O4S2
Molecular Weight311.34 g/mol
Exact Mass311.00
IUPAC Name(4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=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)/t7-/m0/s1
InChIKeyXBFYFJBIAUNJDG-ZETCQYMHSA-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

(2R,4R)-4-hydroxy-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 79000203
(3R)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 81127589
6-(2-ethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51254590
3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211281
3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209977
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165389
2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 43360368
N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 114549960
(4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144021
3-methyl-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146564
6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95603581
1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168377

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61143309) is (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XBFYFJBIAUNJDG-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-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 (4R)-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).