1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C12H9N3O3S — CID 112728200

IUPAC1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1cnsn1
InChIInChI=1S/C12H9N3O3S/c16-11(8-6-13-19-14-8)15-9-4-2-1-3-7(9)5-10(15)12(17)18/h1-4,6,10H,5H2,(H,17,18)
InChIKeyRICATYRIQQSVOO-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.19
Rot. Bonds2

About 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 112728200) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID112728200
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1cnsn1
InChIInChI=1S/C12H9N3O3S/c16-11(8-6-13-19-14-8)15-9-4-2-1-3-7(9)5-10(15)12(17)18/h1-4,6,10H,5H2,(H,17,18)
InChIKeyRICATYRIQQSVOO-UHFFFAOYSA-N
XLogP1.19
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 112728200) is 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)c1cnsn1.
What is the InChIKey of 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is RICATYRIQQSVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-11(8-6-13-19-14-8)15-9-4-2-1-3-7(9)5-10(15)12(17)18/h1-4,6,10H,5H2,(H,17,18).
What are the key properties of 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 112728200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).