5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole

C8H13N3OS — CID 65275383

IUPAC5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(OC2CNC2)n1
InChIInChI=1S/C8H13N3OS/c1-2-3-7-10-8(13-11-7)12-6-4-9-5-6/h6,9H,2-5H2,1H3
InChIKeyJREPBXQNFAKOJP-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.84
Rot. Bonds4

About 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole

5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole (PubChem CID 65275383) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole
PubChem CID65275383
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(OC2CNC2)n1
InChIInChI=1S/C8H13N3OS/c1-2-3-7-10-8(13-11-7)12-6-4-9-5-6/h6,9H,2-5H2,1H3
InChIKeyJREPBXQNFAKOJP-UHFFFAOYSA-N
XLogP0.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole (CID 65275383) is 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole is CCCc1nsc(OC2CNC2)n1.
What is the InChIKey of 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole?
The InChIKey is JREPBXQNFAKOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-3-7-10-8(13-11-7)12-6-4-9-5-6/h6,9H,2-5H2,1H3.
What are the key properties of 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole?
5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole has a molecular weight of 199.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 65275383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).