6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H16ClN5S — CID 44615630

IUPAC6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccccc1-c1nn2c(CN3CCCCC3)nnc2s1
InChIInChI=1S/C15H16ClN5S/c16-12-7-3-2-6-11(12)14-19-21-13(17-18-15(21)22-14)10-20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-10H2
InChIKeyVDFTZKJAPZSVKA-UHFFFAOYSA-N
MW333.85 g/mol
LogP3.49
Rot. Bonds3

About 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 44615630) has the molecular formula C15H16ClN5S and a molecular weight of 333.85 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID44615630
Molecular FormulaC15H16ClN5S
Molecular Weight333.85 g/mol
Exact Mass333.08
IUPAC Name6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccccc1-c1nn2c(CN3CCCCC3)nnc2s1
InChIInChI=1S/C15H16ClN5S/c16-12-7-3-2-6-11(12)14-19-21-13(17-18-15(21)22-14)10-20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-10H2
InChIKeyVDFTZKJAPZSVKA-UHFFFAOYSA-N
XLogP3.49
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.85
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

3-(azepan-1-ylmethyl)-6-(2,5-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56593198
6-naphthalen-2-yl-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 44615645
3-(azepan-1-ylmethyl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 47001103
3-(azepan-1-ylmethyl)-6-(3-iodophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56736863
[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 50895919
4-[[6-(2-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine
CID 56736798
6-(chloromethyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56736827
6-(2-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 53338198
6-(5-chloronaphthalen-1-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 17196041
3-(azepan-1-ylmethyl)-6-[(1R)-1-phenoxyethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95182742
[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 50896191
2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 44615630) is 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1ccccc1-c1nn2c(CN3CCCCC3)nnc2s1.
What is the InChIKey of 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VDFTZKJAPZSVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5S/c16-12-7-3-2-6-11(12)14-19-21-13(17-18-15(21)22-14)10-20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 333.85 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-3-(piperidin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 44615630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).