(4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C9H9N3O4S — CID 28791213

IUPAC(4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H9N3O4S/c13-7-2-10-5(1-11-7)8(14)12-4-17-3-6(12)9(15)16/h1-2,6H,3-4H2,(H,11,13)(H,15,16)/t6-/m0/s1
InChIKeyXBWQZPWFBDZHSS-LURJTMIESA-N
MW255.25 g/mol
LogP-0.63
Rot. Bonds2

About (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28791213) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID28791213
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name(4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H9N3O4S/c13-7-2-10-5(1-11-7)8(14)12-4-17-3-6(12)9(15)16/h1-2,6H,3-4H2,(H,11,13)(H,15,16)/t6-/m0/s1
InChIKeyXBWQZPWFBDZHSS-LURJTMIESA-N
XLogP-0.63
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-methylsulfanyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28788935
(2S)-4-methylsulfanyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28788937
(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28791273
4-methylsulfanyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43210977
3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211281
3-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211293
2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236085
2-ethyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236872
2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 60845905
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]thiolane-3-carboxylic acid
CID 61685883
3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781934
2-cyclopropyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781983

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 28791213) is (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XBWQZPWFBDZHSS-LURJTMIESA-N. The full InChI is InChI=1S/C9H9N3O4S/c13-7-2-10-5(1-11-7)8(14)12-4-17-3-6(12)9(15)16/h1-2,6H,3-4H2,(H,11,13)(H,15,16)/t6-/m0/s1.
What are the key properties of (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28791213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).