1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

C19H19N5OS — CID 1292683

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1
InChIInChI=1S/C19H19N5OS/c1-2-23-18(15-7-10-20-11-8-15)21-22-19(23)26-13-17(25)24-12-9-14-5-3-4-6-16(14)24/h3-8,10-11H,2,9,12-13H2,1H3
InChIKeyGAWVSOADRPOMGC-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.04
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 1292683) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID1292683
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1
InChIInChI=1S/C19H19N5OS/c1-2-23-18(15-7-10-20-11-8-15)21-22-19(23)26-13-17(25)24-12-9-14-5-3-4-6-16(14)24/h3-8,10-11H,2,9,12-13H2,1H3
InChIKeyGAWVSOADRPOMGC-UHFFFAOYSA-N
XLogP3.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 1292683) is 1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is GAWVSOADRPOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-2-23-18(15-7-10-20-11-8-15)21-22-19(23)26-13-17(25)24-12-9-14-5-3-4-6-16(14)24/h3-8,10-11H,2,9,12-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 365.46 g/mol, XLogP of 3.04, 5 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-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 1292683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).