3-(thiadiazol-4-yl)propanal

C5H6N2OS — CID 54477379

IUPAC3-(thiadiazol-4-yl)propanal
SMILESO=CCCc1csnn1
InChIInChI=1S/C5H6N2OS/c8-3-1-2-5-4-9-7-6-5/h3-4H,1-2H2
InChIKeyCSCBMOYHDIJBOP-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.67
Rot. Bonds3

About 3-(thiadiazol-4-yl)propanal

3-(thiadiazol-4-yl)propanal (PubChem CID 54477379) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-(thiadiazol-4-yl)propanal.

Molecular Properties

Compound Name3-(thiadiazol-4-yl)propanal
PubChem CID54477379
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name3-(thiadiazol-4-yl)propanal
SMILESO=CCCc1csnn1
InChIInChI=1S/C5H6N2OS/c8-3-1-2-5-4-9-7-6-5/h3-4H,1-2H2
InChIKeyCSCBMOYHDIJBOP-UHFFFAOYSA-N
XLogP0.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(thiadiazol-4-yl)propanal?
The IUPAC name of 3-(thiadiazol-4-yl)propanal (CID 54477379) is 3-(thiadiazol-4-yl)propanal.
What is the SMILES notation for 3-(thiadiazol-4-yl)propanal?
The canonical SMILES for 3-(thiadiazol-4-yl)propanal is O=CCCc1csnn1.
What is the InChIKey of 3-(thiadiazol-4-yl)propanal?
The InChIKey is CSCBMOYHDIJBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c8-3-1-2-5-4-9-7-6-5/h3-4H,1-2H2.
What are the key properties of 3-(thiadiazol-4-yl)propanal?
3-(thiadiazol-4-yl)propanal has a molecular weight of 142.18 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiadiazol-4-yl)propanal is sourced from PubChem (CID 54477379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).