1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone

C13H13N3OS3 — CID 934505

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
SMILESCSc1nsc(SCC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C13H13N3OS3/c1-18-12-14-13(20-15-12)19-8-11(17)16-7-6-9-4-2-3-5-10(9)16/h2-5H,6-8H2,1H3
InChIKeyAJJCISNFRLJCLL-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.94
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone (PubChem CID 934505) has the molecular formula C13H13N3OS3 and a molecular weight of 323.47 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
PubChem CID934505
Molecular FormulaC13H13N3OS3
Molecular Weight323.47 g/mol
Exact Mass323.02
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
SMILESCSc1nsc(SCC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C13H13N3OS3/c1-18-12-14-13(20-15-12)19-8-11(17)16-7-6-9-4-2-3-5-10(9)16/h2-5H,6-8H2,1H3
InChIKeyAJJCISNFRLJCLL-UHFFFAOYSA-N
XLogP2.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone (CID 934505) is 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone is CSc1nsc(SCC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
The InChIKey is AJJCISNFRLJCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS3/c1-18-12-14-13(20-15-12)19-8-11(17)16-7-6-9-4-2-3-5-10(9)16/h2-5H,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone has a molecular weight of 323.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone is sourced from PubChem (CID 934505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).