1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid

C14H14N2O4S — CID 43359800

IUPAC1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)CN1CSCC1=O
InChIInChI=1S/C14H14N2O4S/c17-12(6-15-8-21-7-13(15)18)16-10-4-2-1-3-9(10)5-11(16)14(19)20/h1-4,11H,5-8H2,(H,19,20)
InChIKeyUMZMHSFESWETKQ-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.56
Rot. Bonds3

About 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid

1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43359800) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID43359800
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)CN1CSCC1=O
InChIInChI=1S/C14H14N2O4S/c17-12(6-15-8-21-7-13(15)18)16-10-4-2-1-3-9(10)5-11(16)14(19)20/h1-4,11H,5-8H2,(H,19,20)
InChIKeyUMZMHSFESWETKQ-UHFFFAOYSA-N
XLogP0.56
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid (CID 43359800) is 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)CN1CSCC1=O.
What is the InChIKey of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is UMZMHSFESWETKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-12(6-15-8-21-7-13(15)18)16-10-4-2-1-3-9(10)5-11(16)14(19)20/h1-4,11H,5-8H2,(H,19,20).
What are the key properties of 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid?
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43359800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).