(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C8H9N3O4S — CID 28791273

IUPAC(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H9N3O4S/c12-6(4-1-9-8(15)10-4)11-3-16-2-5(11)7(13)14/h1,5H,2-3H2,(H,13,14)(H2,9,10,15)/t5-/m0/s1
InChIKeyFCQFJELEEVXLLW-YFKPBYRVSA-N
MW243.24 g/mol
LogP-0.70
Rot. Bonds2

About (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28791273) has the molecular formula C8H9N3O4S and a molecular weight of 243.24 g/mol. Its IUPAC name is (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID28791273
Molecular FormulaC8H9N3O4S
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H9N3O4S/c12-6(4-1-9-8(15)10-4)11-3-16-2-5(11)7(13)14/h1,5H,2-3H2,(H,13,14)(H2,9,10,15)/t5-/m0/s1
InChIKeyFCQFJELEEVXLLW-YFKPBYRVSA-N
XLogP-0.70
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693844
(4R)-3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28179847
(2R)-4-methylsulfanyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789012
(2S)-4-methylsulfanyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789014
(4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28791213
3-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172216
4-Methylsulfanyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43210992
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
3-[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359456
3-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235714
2-Ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237650

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 28791273) is (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FCQFJELEEVXLLW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9N3O4S/c12-6(4-1-9-8(15)10-4)11-3-16-2-5(11)7(13)14/h1,5H,2-3H2,(H,13,14)(H2,9,10,15)/t5-/m0/s1.
What are the key properties of (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 243.24 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28791273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).