3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H15N5S — CID 114354231

IUPAC3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(-c3cccc4c3CCNC4)nn12
InChIInChI=1S/C14H15N5S/c1-2-12-16-17-14-19(12)18-13(20-14)11-5-3-4-9-8-15-7-6-10(9)11/h3-5,15H,2,6-8H2,1H3
InChIKeyLEVFIBHXVXYLBU-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.06
Rot. Bonds2

About 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114354231) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114354231
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(-c3cccc4c3CCNC4)nn12
InChIInChI=1S/C14H15N5S/c1-2-12-16-17-14-19(12)18-13(20-14)11-5-3-4-9-8-15-7-6-10(9)11/h3-5,15H,2,6-8H2,1H3
InChIKeyLEVFIBHXVXYLBU-UHFFFAOYSA-N
XLogP2.06
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991481
6-(2-bromophenyl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2991694
5-bromo-2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136983529
2-cyano-N-[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]acetamide
CID 168521310
3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2992190
4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 952391
3-ethyl-6-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 50849965
[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048318
6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3161201
6-(3,4-dichlorophenyl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840527
5-bromo-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-benzothiazole
CID 104559062
5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114354231) is 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCc1nnc2sc(-c3cccc4c3CCNC4)nn12.
What is the InChIKey of 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LEVFIBHXVXYLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-2-12-16-17-14-19(12)18-13(20-14)11-5-3-4-9-8-15-7-6-10(9)11/h3-5,15H,2,6-8H2,1H3.
What are the key properties of 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 285.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114354231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).