2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile

C7H7N3S — CID 65280750

IUPAC2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(C2CC2)ns1
InChIInChI=1S/C7H7N3S/c8-4-3-6-9-7(10-11-6)5-1-2-5/h5H,1-3H2
InChIKeyUDGFXZLGCDKMSV-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.48
Rot. Bonds2

About 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile

2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile (PubChem CID 65280750) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile
PubChem CID65280750
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(C2CC2)ns1
InChIInChI=1S/C7H7N3S/c8-4-3-6-9-7(10-11-6)5-1-2-5/h5H,1-3H2
InChIKeyUDGFXZLGCDKMSV-UHFFFAOYSA-N
XLogP1.48
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile (CID 65280750) is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile is N#CCc1nc(C2CC2)ns1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile?
The InChIKey is UDGFXZLGCDKMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-4-3-6-9-7(10-11-6)5-1-2-5/h5H,1-3H2.
What are the key properties of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile?
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile has a molecular weight of 165.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)acetonitrile is sourced from PubChem (CID 65280750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).