N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide

C16H18N6OS — CID 110405406

IUPACN-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nn3cnnc3s2)CC1
InChIInChI=1S/C16H18N6OS/c23-15(17-10-12-4-2-1-3-5-12)21-8-6-13(7-9-21)14-20-22-11-18-19-16(22)24-14/h1-5,11,13H,6-10H2,(H,17,23)
InChIKeyLRRVVUQQYNRZIL-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.28
Rot. Bonds3

About N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide

N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide (PubChem CID 110405406) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide
PubChem CID110405406
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nn3cnnc3s2)CC1
InChIInChI=1S/C16H18N6OS/c23-15(17-10-12-4-2-1-3-5-12)21-8-6-13(7-9-21)14-20-22-11-18-19-16(22)24-14/h1-5,11,13H,6-10H2,(H,17,23)
InChIKeyLRRVVUQQYNRZIL-UHFFFAOYSA-N
XLogP2.28
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide (CID 110405406) is N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(c2nn3cnnc3s2)CC1.
What is the InChIKey of N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide?
The InChIKey is LRRVVUQQYNRZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c23-15(17-10-12-4-2-1-3-5-12)21-8-6-13(7-9-21)14-20-22-11-18-19-16(22)24-14/h1-5,11,13H,6-10H2,(H,17,23).
What are the key properties of N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide?
N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110405406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).