4-pyridin-2-yl-4,5-dihydrothiadiazole

C7H7N3S — CID 68553246

IUPAC4-pyridin-2-yl-4,5-dihydrothiadiazole
SMILESc1ccc(C2CSN=N2)nc1
InChIInChI=1S/C7H7N3S/c1-2-4-8-6(3-1)7-5-11-10-9-7/h1-4,7H,5H2
InChIKeyUODNWALWFHHTPF-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.24
Rot. Bonds1

About 4-pyridin-2-yl-4,5-dihydrothiadiazole

4-pyridin-2-yl-4,5-dihydrothiadiazole (PubChem CID 68553246) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-pyridin-2-yl-4,5-dihydrothiadiazole.

Molecular Properties

Compound Name4-pyridin-2-yl-4,5-dihydrothiadiazole
PubChem CID68553246
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-pyridin-2-yl-4,5-dihydrothiadiazole
SMILESc1ccc(C2CSN=N2)nc1
InChIInChI=1S/C7H7N3S/c1-2-4-8-6(3-1)7-5-11-10-9-7/h1-4,7H,5H2
InChIKeyUODNWALWFHHTPF-UHFFFAOYSA-N
XLogP2.24
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
CID 58652114
2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine
CID 165176425
2-[2-(chloromethyl)cyclopropyl]pyridine
CID 81357675
2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine
CID 58652054
2-(diaziridin-3-yl)pyridine
CID 163685048
2,4,6-tripyridin-2-yl-1,3,5-triazinane
CID 3057069
4-methyl-2-pyridin-2-yl-1,3-thiazolidine
CID 66220383
2-[2-(chloromethyl)cyclopropyl]pyridine;hydrochloride
CID 174705473
4-pyridin-2-yl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 89414621
(2R)-2-pyridin-2-yl-1,3-thiazolidine
CID 92855443
2-[(2R)-azetidin-2-yl]pyridine;hydrochloride
CID 171197160
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-4,5-dihydrothiadiazole?
The IUPAC name of 4-pyridin-2-yl-4,5-dihydrothiadiazole (CID 68553246) is 4-pyridin-2-yl-4,5-dihydrothiadiazole.
What is the SMILES notation for 4-pyridin-2-yl-4,5-dihydrothiadiazole?
The canonical SMILES for 4-pyridin-2-yl-4,5-dihydrothiadiazole is c1ccc(C2CSN=N2)nc1.
What is the InChIKey of 4-pyridin-2-yl-4,5-dihydrothiadiazole?
The InChIKey is UODNWALWFHHTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-2-4-8-6(3-1)7-5-11-10-9-7/h1-4,7H,5H2.
What are the key properties of 4-pyridin-2-yl-4,5-dihydrothiadiazole?
4-pyridin-2-yl-4,5-dihydrothiadiazole has a molecular weight of 165.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-4,5-dihydrothiadiazole is sourced from PubChem (CID 68553246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).