N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C13H15N5OS — CID 82176626

IUPACN-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCNC2)s1)c1cccnc1
InChIInChI=1S/C13H15N5OS/c19-11(9-3-1-5-14-7-9)16-13-18-17-12(20-13)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2,(H,16,18,19)
InChIKeyAGRGJMASUHKOIP-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.65
Rot. Bonds3

About N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 82176626) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID82176626
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCNC2)s1)c1cccnc1
InChIInChI=1S/C13H15N5OS/c19-11(9-3-1-5-14-7-9)16-13-18-17-12(20-13)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2,(H,16,18,19)
InChIKeyAGRGJMASUHKOIP-UHFFFAOYSA-N
XLogP1.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 82176640
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 139460837
N-(3-chlorophenyl)-5-[(3R)-piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94133475
N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 82058091
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 4178548
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-[5-[(1S,3S)-3-[5-[[2-(3-aminophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(3-piperidin-3-ylphenyl)acetamide
CID 135234176
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)pyridine-3-carboxamide
CID 72719984

Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 82176626) is N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nnc(C2CCCNC2)s1)c1cccnc1.
What is the InChIKey of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is AGRGJMASUHKOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c19-11(9-3-1-5-14-7-9)16-13-18-17-12(20-13)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2,(H,16,18,19).
What are the key properties of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 82176626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).