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

C13H21N5S — CID 114354066

IUPAC3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(C(C)(C)C3CCCNC3)nn12
InChIInChI=1S/C13H21N5S/c1-4-10-15-16-12-18(10)17-11(19-12)13(2,3)9-6-5-7-14-8-9/h9,14H,4-8H2,1-3H3
InChIKeyXNIRCAGYPXQIMV-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.03
Rot. Bonds3

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

3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114354066) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114354066
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1nnc2sc(C(C)(C)C3CCCNC3)nn12
InChIInChI=1S/C13H21N5S/c1-4-10-15-16-12-18(10)17-11(19-12)13(2,3)9-6-5-7-14-8-9/h9,14H,4-8H2,1-3H3
InChIKeyXNIRCAGYPXQIMV-UHFFFAOYSA-N
XLogP2.03
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

3-ethyl-6-(piperidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354178
3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354016
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpropan-2-amine
CID 114354108
3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82473348
(3R)-3-tert-butylpiperidine
CID 59772800
2-piperidin-3-ylbutan-2-ol
CID 63586087
3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114352010
3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354287
2-piperidin-3-ylpentan-2-ol
CID 63586269
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylbutan-2-amine
CID 114354219
(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)hydrazine
CID 91679130
methyl 2-cyclopentyl-2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352500

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114354066) is 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCc1nnc2sc(C(C)(C)C3CCCNC3)nn12.
What is the InChIKey of 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is XNIRCAGYPXQIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-4-10-15-16-12-18(10)17-11(19-12)13(2,3)9-6-5-7-14-8-9/h9,14H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 279.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-piperidin-3-ylpropan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114354066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).