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

C11H15N3O4S — CID 63781940

IUPAC3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4S/c1-5(2)9-14(7(4-19-9)10(16)17)8(15)6-3-12-11(18)13-6/h3,5,7,9H,4H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyUPKPKPXHPDVQNJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.33
Rot. Bonds3

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

3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781940) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781940
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4S/c1-5(2)9-14(7(4-19-9)10(16)17)8(15)6-3-12-11(18)13-6/h3,5,7,9H,4H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyUPKPKPXHPDVQNJ-UHFFFAOYSA-N
XLogP0.33
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63781940) is 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UPKPKPXHPDVQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-5(2)9-14(7(4-19-9)10(16)17)8(15)6-3-12-11(18)13-6/h3,5,7,9H,4H2,1-2H3,(H,16,17)(H2,12,13,18).
What are the key properties of 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).