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

C8H9N3OS — CID 65277323

IUPAC2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
SMILESN#CC(CO)c1nc(C2CC2)ns1
InChIInChI=1S/C8H9N3OS/c9-3-6(4-12)8-10-7(11-13-8)5-1-2-5/h5-6,12H,1-2,4H2
InChIKeyUKHFFWPHZONEKS-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.01
Rot. Bonds3

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

2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile (PubChem CID 65277323) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
PubChem CID65277323
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
SMILESN#CC(CO)c1nc(C2CC2)ns1
InChIInChI=1S/C8H9N3OS/c9-3-6(4-12)8-10-7(11-13-8)5-1-2-5/h5-6,12H,1-2,4H2
InChIKeyUKHFFWPHZONEKS-UHFFFAOYSA-N
XLogP1.01
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile (CID 65277323) is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile is N#CC(CO)c1nc(C2CC2)ns1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile?
The InChIKey is UKHFFWPHZONEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-3-6(4-12)8-10-7(11-13-8)5-1-2-5/h5-6,12H,1-2,4H2.
What are the key properties of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile?
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile has a molecular weight of 195.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile is sourced from PubChem (CID 65277323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).