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

C7H9N3OS — CID 65277324

IUPAC2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
SMILESCCc1nsc(C(C#N)CO)n1
InChIInChI=1S/C7H9N3OS/c1-2-6-9-7(12-10-6)5(3-8)4-11/h5,11H,2,4H2,1H3
InChIKeyMWHXYAASQTWCHR-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.70
Rot. Bonds3

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

2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile (PubChem CID 65277324) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
PubChem CID65277324
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
SMILESCCc1nsc(C(C#N)CO)n1
InChIInChI=1S/C7H9N3OS/c1-2-6-9-7(12-10-6)5(3-8)4-11/h5,11H,2,4H2,1H3
InChIKeyMWHXYAASQTWCHR-UHFFFAOYSA-N
XLogP0.70
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile?
The IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile (CID 65277324) is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile.
What is the SMILES notation for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile?
The canonical SMILES for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile is CCc1nsc(C(C#N)CO)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile?
The InChIKey is MWHXYAASQTWCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-2-6-9-7(12-10-6)5(3-8)4-11/h5,11H,2,4H2,1H3.
What are the key properties of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile?
2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile has a molecular weight of 183.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile is sourced from PubChem (CID 65277324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).