5-cyclopropyl-1,2,4-thiadiazole

C5H6N2S — CID 54081873

IUPAC5-cyclopropyl-1,2,4-thiadiazole
SMILESc1nsc(C2CC2)n1
InChIInChI=1S/C5H6N2S/c1-2-4(1)5-6-3-7-8-5/h3-4H,1-2H2
InChIKeyGZDAUUPETPDIBX-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.42
Rot. Bonds1

About 5-cyclopropyl-1,2,4-thiadiazole

5-cyclopropyl-1,2,4-thiadiazole (PubChem CID 54081873) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 5-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-cyclopropyl-1,2,4-thiadiazole
PubChem CID54081873
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name5-cyclopropyl-1,2,4-thiadiazole
SMILESc1nsc(C2CC2)n1
InChIInChI=1S/C5H6N2S/c1-2-4(1)5-6-3-7-8-5/h3-4H,1-2H2
InChIKeyGZDAUUPETPDIBX-UHFFFAOYSA-N
XLogP1.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-cyclopropyl-1,2,4-thiadiazole (CID 54081873) is 5-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-cyclopropyl-1,2,4-thiadiazole is c1nsc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is GZDAUUPETPDIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-2-4(1)5-6-3-7-8-5/h3-4H,1-2H2.
What are the key properties of 5-cyclopropyl-1,2,4-thiadiazole?
5-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 126.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 54081873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).