7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C15H13N5O2S2 — CID 7197224

IUPAC7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1nnc2sc(SCC(=O)N3CCc4ccccc43)nn2c1=O
InChIInChI=1S/C15H13N5O2S2/c1-9-13(22)20-14(17-16-9)24-15(18-20)23-8-12(21)19-7-6-10-4-2-3-5-11(10)19/h2-5H,6-8H2,1H3
InChIKeyYTWVBZBHIPFFQN-UHFFFAOYSA-N
MW359.44 g/mol
LogP1.54
Rot. Bonds3

About 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 7197224) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID7197224
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC Name7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1nnc2sc(SCC(=O)N3CCc4ccccc43)nn2c1=O
InChIInChI=1S/C15H13N5O2S2/c1-9-13(22)20-14(17-16-9)24-15(18-20)23-8-12(21)19-7-6-10-4-2-3-5-11(10)19/h2-5H,6-8H2,1H3
InChIKeyYTWVBZBHIPFFQN-UHFFFAOYSA-N
XLogP1.54
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 7197224) is 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is Cc1nnc2sc(SCC(=O)N3CCc4ccccc43)nn2c1=O.
What is the InChIKey of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is YTWVBZBHIPFFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-9-13(22)20-14(17-16-9)24-15(18-20)23-8-12(21)19-7-6-10-4-2-3-5-11(10)19/h2-5H,6-8H2,1H3.
What are the key properties of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 359.44 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 7197224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).