oxadiazol-4-yl(thiadiazol-4-yl)methanone

C5H2N4O2S — CID 69484171

IUPACoxadiazol-4-yl(thiadiazol-4-yl)methanone
SMILESO=C(c1conn1)c1csnn1
InChIInChI=1S/C5H2N4O2S/c10-5(3-1-11-8-6-3)4-2-12-9-7-4/h1-2H
InChIKeyGYABPLUTINHDNP-UHFFFAOYSA-N
MW182.16 g/mol
LogP0.15
Rot. Bonds2

About oxadiazol-4-yl(thiadiazol-4-yl)methanone

oxadiazol-4-yl(thiadiazol-4-yl)methanone (PubChem CID 69484171) has the molecular formula C5H2N4O2S and a molecular weight of 182.16 g/mol. Its IUPAC name is oxadiazol-4-yl(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Nameoxadiazol-4-yl(thiadiazol-4-yl)methanone
PubChem CID69484171
Molecular FormulaC5H2N4O2S
Molecular Weight182.16 g/mol
Exact Mass181.99
IUPAC Nameoxadiazol-4-yl(thiadiazol-4-yl)methanone
SMILESO=C(c1conn1)c1csnn1
InChIInChI=1S/C5H2N4O2S/c10-5(3-1-11-8-6-3)4-2-12-9-7-4/h1-2H
InChIKeyGYABPLUTINHDNP-UHFFFAOYSA-N
XLogP0.15
TPSA81.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of oxadiazol-4-yl(thiadiazol-4-yl)methanone?
The IUPAC name of oxadiazol-4-yl(thiadiazol-4-yl)methanone (CID 69484171) is oxadiazol-4-yl(thiadiazol-4-yl)methanone.
What is the SMILES notation for oxadiazol-4-yl(thiadiazol-4-yl)methanone?
The canonical SMILES for oxadiazol-4-yl(thiadiazol-4-yl)methanone is O=C(c1conn1)c1csnn1.
What is the InChIKey of oxadiazol-4-yl(thiadiazol-4-yl)methanone?
The InChIKey is GYABPLUTINHDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N4O2S/c10-5(3-1-11-8-6-3)4-2-12-9-7-4/h1-2H.
What are the key properties of oxadiazol-4-yl(thiadiazol-4-yl)methanone?
oxadiazol-4-yl(thiadiazol-4-yl)methanone has a molecular weight of 182.16 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazol-4-yl(thiadiazol-4-yl)methanone is sourced from PubChem (CID 69484171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).