6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C14H17N5OS — CID 86805419

IUPAC6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H17N5OS/c1-9-5-6-10(12(15)20)8-19(9)14-18-17-13(21-14)11-4-2-3-7-16-11/h2-4,7,9-10H,5-6,8H2,1H3,(H2,15,20)
InChIKeyHATXFZHSBKGLBX-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.69
Rot. Bonds3

About 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 86805419) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID86805419
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H17N5OS/c1-9-5-6-10(12(15)20)8-19(9)14-18-17-13(21-14)11-4-2-3-7-16-11/h2-4,7,9-10H,5-6,8H2,1H3,(H2,15,20)
InChIKeyHATXFZHSBKGLBX-UHFFFAOYSA-N
XLogP1.69
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 86805419) is 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1nnc(-c2ccccn2)s1.
What is the InChIKey of 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is HATXFZHSBKGLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9-5-6-10(12(15)20)8-19(9)14-18-17-13(21-14)11-4-2-3-7-16-11/h2-4,7,9-10H,5-6,8H2,1H3,(H2,15,20).
What are the key properties of 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 86805419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).