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

C10H13N3O4S — CID 55237650

IUPAC2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O4S/c1-2-7-13(6(4-18-7)9(15)16)8(14)5-3-11-10(17)12-5/h3,6-7H,2,4H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyAZBSEDNYZZKWOJ-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.08
Rot. Bonds3

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

2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55237650) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55237650
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O4S/c1-2-7-13(6(4-18-7)9(15)16)8(14)5-3-11-10(17)12-5/h3,6-7H,2,4H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyAZBSEDNYZZKWOJ-UHFFFAOYSA-N
XLogP0.08
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55237650) is 2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AZBSEDNYZZKWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-2-7-13(6(4-18-7)9(15)16)8(14)5-3-11-10(17)12-5/h3,6-7H,2,4H2,1H3,(H,15,16)(H2,11,12,17).
What are the key properties of 2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55237650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).