3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile

C7H9N3S — CID 163999143

IUPAC3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile
SMILESCCc1nsnc1CCC#N
InChIInChI=1S/C7H9N3S/c1-2-6-7(4-3-5-8)10-11-9-6/h2-4H2,1H3
InChIKeyUHKBFTDDNRLXHI-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.56
Rot. Bonds3

About 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile

3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile (PubChem CID 163999143) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile
PubChem CID163999143
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile
SMILESCCc1nsnc1CCC#N
InChIInChI=1S/C7H9N3S/c1-2-6-7(4-3-5-8)10-11-9-6/h2-4H2,1H3
InChIKeyUHKBFTDDNRLXHI-UHFFFAOYSA-N
XLogP1.56
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile?
The IUPAC name of 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile (CID 163999143) is 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile.
What is the SMILES notation for 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile?
The canonical SMILES for 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile is CCc1nsnc1CCC#N.
What is the InChIKey of 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile?
The InChIKey is UHKBFTDDNRLXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-2-6-7(4-3-5-8)10-11-9-6/h2-4H2,1H3.
What are the key properties of 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile?
3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile has a molecular weight of 167.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile is sourced from PubChem (CID 163999143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).