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

C9H11N3O4S — CID 63790574

IUPAC2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O4S/c1-4-12(6(3-17-4)8(14)15)7(13)5-2-10-9(16)11-5/h2,4,6H,3H2,1H3,(H,14,15)(H2,10,11,16)
InChIKeyZMEKJJXPRZPQPG-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.31
Rot. Bonds2

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

2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63790574) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63790574
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O4S/c1-4-12(6(3-17-4)8(14)15)7(13)5-2-10-9(16)11-5/h2,4,6H,3H2,1H3,(H,14,15)(H2,10,11,16)
InChIKeyZMEKJJXPRZPQPG-UHFFFAOYSA-N
XLogP-0.31
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63790574) is 2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZMEKJJXPRZPQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-4-12(6(3-17-4)8(14)15)7(13)5-2-10-9(16)11-5/h2,4,6H,3H2,1H3,(H,14,15)(H2,10,11,16).
What are the key properties of 2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 257.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63790574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).