3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H15N5S — CID 114353243

IUPAC3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nnc3sc(C4CCCCN4)nn23)cc1
InChIInChI=1S/C14H15N5S/c1-2-6-10(7-3-1)12-16-17-14-19(12)18-13(20-14)11-8-4-5-9-15-11/h1-3,6-7,11,15H,4-5,8-9H2
InChIKeyDTABHTZVYJHLHT-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.67
Rot. Bonds2

About 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114353243) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114353243
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nnc3sc(C4CCCCN4)nn23)cc1
InChIInChI=1S/C14H15N5S/c1-2-6-10(7-3-1)12-16-17-14-19(12)18-13(20-14)11-8-4-5-9-15-11/h1-3,6-7,11,15H,4-5,8-9H2
InChIKeyDTABHTZVYJHLHT-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-6-thiomorpholin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353333
3-(3-nitrophenyl)-6-[(2S)-pyrrolidin-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 10757766
3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355291
3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
CID 114353284
3-(methoxymethyl)-6-pyrrolidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355290
6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982435
3-phenyl-6-(2-pyrrolidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353189
6-cyclohexyl-3-(3,5-dimethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7005232
N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
CID 114353227
cyclopropyl-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 114353329
6-cyclohexyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932850
(3S)-3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,4-dihydroisochromen-1-one
CID 977701

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114353243) is 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(-c2nnc3sc(C4CCCCN4)nn23)cc1.
What is the InChIKey of 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is DTABHTZVYJHLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-2-6-10(7-3-1)12-16-17-14-19(12)18-13(20-14)11-8-4-5-9-15-11/h1-3,6-7,11,15H,4-5,8-9H2.
What are the key properties of 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 285.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114353243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).