N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide

C13H10N6OS — CID 169101795

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide
SMILESNc1nnc(NC(=O)c2cccc(-c3ccccn3)n2)s1
InChIInChI=1S/C13H10N6OS/c14-12-18-19-13(21-12)17-11(20)10-6-3-5-9(16-10)8-4-1-2-7-15-8/h1-7H,(H2,14,18)(H,17,19,20)
InChIKeyPKTILGHGFZRVJG-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.83
Rot. Bonds3

About N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 169101795) has the molecular formula C13H10N6OS and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide
PubChem CID169101795
Molecular FormulaC13H10N6OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide
SMILESNc1nnc(NC(=O)c2cccc(-c3ccccn3)n2)s1
InChIInChI=1S/C13H10N6OS/c14-12-18-19-13(21-12)17-11(20)10-6-3-5-9(16-10)8-4-1-2-7-15-8/h1-7H,(H2,14,18)(H,17,19,20)
InChIKeyPKTILGHGFZRVJG-UHFFFAOYSA-N
XLogP1.83
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide (CID 169101795) is N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide is Nc1nnc(NC(=O)c2cccc(-c3ccccn3)n2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is PKTILGHGFZRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6OS/c14-12-18-19-13(21-12)17-11(20)10-6-3-5-9(16-10)8-4-1-2-7-15-8/h1-7H,(H2,14,18)(H,17,19,20).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-6-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 169101795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).