5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole

C7H7N3S — CID 19849196

IUPAC5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(C2=NNCS2)nc1
InChIInChI=1S/C7H7N3S/c1-2-4-8-6(3-1)7-10-9-5-11-7/h1-4,9H,5H2
InChIKeyAZEUMXILAGTGDU-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.04
Rot. Bonds1

About 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole

5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 19849196) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID19849196
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
SMILESc1ccc(C2=NNCS2)nc1
InChIInChI=1S/C7H7N3S/c1-2-4-8-6(3-1)7-10-9-5-11-7/h1-4,9H,5H2
InChIKeyAZEUMXILAGTGDU-UHFFFAOYSA-N
XLogP1.04
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole (CID 19849196) is 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole is c1ccc(C2=NNCS2)nc1.
What is the InChIKey of 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is AZEUMXILAGTGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-2-4-8-6(3-1)7-10-9-5-11-7/h1-4,9H,5H2.
What are the key properties of 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole?
5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 165.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 19849196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).