4-ethylthiadiazole-5-carbonitrile

C5H5N3S — CID 65207634

IUPAC4-ethylthiadiazole-5-carbonitrile
SMILESCCc1nnsc1C#N
InChIInChI=1S/C5H5N3S/c1-2-4-5(3-6)9-8-7-4/h2H2,1H3
InChIKeyJUKCXONLVKUARJ-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.97
Rot. Bonds1

About 4-ethylthiadiazole-5-carbonitrile

4-ethylthiadiazole-5-carbonitrile (PubChem CID 65207634) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 4-ethylthiadiazole-5-carbonitrile.

Molecular Properties

Compound Name4-ethylthiadiazole-5-carbonitrile
PubChem CID65207634
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name4-ethylthiadiazole-5-carbonitrile
SMILESCCc1nnsc1C#N
InChIInChI=1S/C5H5N3S/c1-2-4-5(3-6)9-8-7-4/h2H2,1H3
InChIKeyJUKCXONLVKUARJ-UHFFFAOYSA-N
XLogP0.97
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylthiadiazole-5-carbonitrile?
The IUPAC name of 4-ethylthiadiazole-5-carbonitrile (CID 65207634) is 4-ethylthiadiazole-5-carbonitrile.
What is the SMILES notation for 4-ethylthiadiazole-5-carbonitrile?
The canonical SMILES for 4-ethylthiadiazole-5-carbonitrile is CCc1nnsc1C#N.
What is the InChIKey of 4-ethylthiadiazole-5-carbonitrile?
The InChIKey is JUKCXONLVKUARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c1-2-4-5(3-6)9-8-7-4/h2H2,1H3.
What are the key properties of 4-ethylthiadiazole-5-carbonitrile?
4-ethylthiadiazole-5-carbonitrile has a molecular weight of 139.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthiadiazole-5-carbonitrile is sourced from PubChem (CID 65207634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).