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

C8H6N4OS — CID 4173511

IUPACN-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1cccnc1
InChIInChI=1S/C8H6N4OS/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8/h1-5H,(H,11,12,13)
InChIKeyAGEGZHOPKZFKBP-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.19
Rot. Bonds2

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

N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 4173511) has the molecular formula C8H6N4OS and a molecular weight of 206.23 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID4173511
Molecular FormulaC8H6N4OS
Molecular Weight206.23 g/mol
Exact Mass206.03
IUPAC NameN-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1cccnc1
InChIInChI=1S/C8H6N4OS/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8/h1-5H,(H,11,12,13)
InChIKeyAGEGZHOPKZFKBP-UHFFFAOYSA-N
XLogP1.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 4173511) is N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1cccnc1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is AGEGZHOPKZFKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4OS/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8/h1-5H,(H,11,12,13).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 206.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 4173511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).