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

C8H11N3OS — CID 65277326

IUPAC3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile
SMILESCCCc1nsc(C(C#N)CO)n1
InChIInChI=1S/C8H11N3OS/c1-2-3-7-10-8(13-11-7)6(4-9)5-12/h6,12H,2-3,5H2,1H3
InChIKeyXGEDYMILOWYXEX-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.09
Rot. Bonds4

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

3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile (PubChem CID 65277326) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile
PubChem CID65277326
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile
SMILESCCCc1nsc(C(C#N)CO)n1
InChIInChI=1S/C8H11N3OS/c1-2-3-7-10-8(13-11-7)6(4-9)5-12/h6,12H,2-3,5H2,1H3
InChIKeyXGEDYMILOWYXEX-UHFFFAOYSA-N
XLogP1.09
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile?
The IUPAC name of 3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile (CID 65277326) is 3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile.
What is the SMILES notation for 3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile?
The canonical SMILES for 3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile is CCCc1nsc(C(C#N)CO)n1.
What is the InChIKey of 3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile?
The InChIKey is XGEDYMILOWYXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-2-3-7-10-8(13-11-7)6(4-9)5-12/h6,12H,2-3,5H2,1H3.
What are the key properties of 3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile?
3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile has a molecular weight of 197.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-propyl-1,2,4-thiadiazol-5-yl)propanenitrile is sourced from PubChem (CID 65277326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).