2-(thiadiazol-4-yl)-1,3,4-oxadiazole

C4H2N4OS — CID 57471834

IUPAC2-(thiadiazol-4-yl)-1,3,4-oxadiazole
SMILESc1nnc(-c2csnn2)o1
InChIInChI=1S/C4H2N4OS/c1-3(6-8-10-1)4-7-5-2-9-4/h1-2H
InChIKeyAOZYILZYADXBPN-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.59
Rot. Bonds1

About 2-(thiadiazol-4-yl)-1,3,4-oxadiazole

2-(thiadiazol-4-yl)-1,3,4-oxadiazole (PubChem CID 57471834) has the molecular formula C4H2N4OS and a molecular weight of 154.15 g/mol. Its IUPAC name is 2-(thiadiazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(thiadiazol-4-yl)-1,3,4-oxadiazole
PubChem CID57471834
Molecular FormulaC4H2N4OS
Molecular Weight154.15 g/mol
Exact Mass153.99
IUPAC Name2-(thiadiazol-4-yl)-1,3,4-oxadiazole
SMILESc1nnc(-c2csnn2)o1
InChIInChI=1S/C4H2N4OS/c1-3(6-8-10-1)4-7-5-2-9-4/h1-2H
InChIKeyAOZYILZYADXBPN-UHFFFAOYSA-N
XLogP0.59
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(thiadiazol-4-yl)-1,3,4-oxadiazole (CID 57471834) is 2-(thiadiazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(thiadiazol-4-yl)-1,3,4-oxadiazole is c1nnc(-c2csnn2)o1.
What is the InChIKey of 2-(thiadiazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is AOZYILZYADXBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4OS/c1-3(6-8-10-1)4-7-5-2-9-4/h1-2H.
What are the key properties of 2-(thiadiazol-4-yl)-1,3,4-oxadiazole?
2-(thiadiazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 154.15 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 57471834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).