5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile

C5H6N4S — CID 82416625

IUPAC5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile
SMILESCN(C)c1nc(C#N)ns1
InChIInChI=1S/C5H6N4S/c1-9(2)5-7-4(3-6)8-10-5/h1-2H3
InChIKeyUXYRADCHYZLVGF-UHFFFAOYSA-N
MW154.20 g/mol
LogP0.48
Rot. Bonds1

About 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile

5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile (PubChem CID 82416625) has the molecular formula C5H6N4S and a molecular weight of 154.20 g/mol. Its IUPAC name is 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile
PubChem CID82416625
Molecular FormulaC5H6N4S
Molecular Weight154.20 g/mol
Exact Mass154.03
IUPAC Name5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile
SMILESCN(C)c1nc(C#N)ns1
InChIInChI=1S/C5H6N4S/c1-9(2)5-7-4(3-6)8-10-5/h1-2H3
InChIKeyUXYRADCHYZLVGF-UHFFFAOYSA-N
XLogP0.48
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.20
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile?
The IUPAC name of 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile (CID 82416625) is 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile is CN(C)c1nc(C#N)ns1.
What is the InChIKey of 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile?
The InChIKey is UXYRADCHYZLVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4S/c1-9(2)5-7-4(3-6)8-10-5/h1-2H3.
What are the key properties of 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile?
5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile has a molecular weight of 154.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,2,4-thiadiazole-3-carbonitrile is sourced from PubChem (CID 82416625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).