3-propoxy-1,2,5-thiadiazole

C5H8N2OS — CID 22273488

IUPAC3-propoxy-1,2,5-thiadiazole
SMILESCCCOc1cnsn1
InChIInChI=1S/C5H8N2OS/c1-2-3-8-5-4-6-9-7-5/h4H,2-3H2,1H3
InChIKeyWHUHZBMQAGNLSP-UHFFFAOYSA-N
MW144.20 g/mol
LogP1.33
Rot. Bonds3

About 3-propoxy-1,2,5-thiadiazole

3-propoxy-1,2,5-thiadiazole (PubChem CID 22273488) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-propoxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-propoxy-1,2,5-thiadiazole
PubChem CID22273488
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name3-propoxy-1,2,5-thiadiazole
SMILESCCCOc1cnsn1
InChIInChI=1S/C5H8N2OS/c1-2-3-8-5-4-6-9-7-5/h4H,2-3H2,1H3
InChIKeyWHUHZBMQAGNLSP-UHFFFAOYSA-N
XLogP1.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1,2,5-thiadiazole?
The IUPAC name of 3-propoxy-1,2,5-thiadiazole (CID 22273488) is 3-propoxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-propoxy-1,2,5-thiadiazole?
The canonical SMILES for 3-propoxy-1,2,5-thiadiazole is CCCOc1cnsn1.
What is the InChIKey of 3-propoxy-1,2,5-thiadiazole?
The InChIKey is WHUHZBMQAGNLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-2-3-8-5-4-6-9-7-5/h4H,2-3H2,1H3.
What are the key properties of 3-propoxy-1,2,5-thiadiazole?
3-propoxy-1,2,5-thiadiazole has a molecular weight of 144.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1,2,5-thiadiazole is sourced from PubChem (CID 22273488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).