cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone

C14H19N5OS — CID 110405349

IUPACcyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(c2nn3cnnc3s2)CC1
InChIInChI=1S/C14H19N5OS/c20-13(11-3-1-2-4-11)18-7-5-10(6-8-18)12-17-19-9-15-16-14(19)21-12/h9-11H,1-8H2
InChIKeyLJDDAKDXKWCCIG-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.08
Rot. Bonds2

About cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone

cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone (PubChem CID 110405349) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
PubChem CID110405349
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Namecyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(c2nn3cnnc3s2)CC1
InChIInChI=1S/C14H19N5OS/c20-13(11-3-1-2-4-11)18-7-5-10(6-8-18)12-17-19-9-15-16-14(19)21-12/h9-11H,1-8H2
InChIKeyLJDDAKDXKWCCIG-UHFFFAOYSA-N
XLogP2.08
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
CID 110405424
1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]propan-1-one
CID 110405340
2-ethyl-1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]butan-1-one
CID 110405350
2-phenyl-1-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]ethanone
CID 110405376
N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide
CID 110405406
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
CID 114352343
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
6-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 110405449
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone (CID 110405349) is cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(c2nn3cnnc3s2)CC1.
What is the InChIKey of cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
The InChIKey is LJDDAKDXKWCCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-13(11-3-1-2-4-11)18-7-5-10(6-8-18)12-17-19-9-15-16-14(19)21-12/h9-11H,1-8H2.
What are the key properties of cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone has a molecular weight of 305.41 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110405349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).