2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde

C5H6N2OS — CID 174251242

IUPAC2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde
SMILESCc1nsc(CC=O)n1
InChIInChI=1S/C5H6N2OS/c1-4-6-5(2-3-8)9-7-4/h3H,2H2,1H3
InChIKeyDVWCBWVTHSBNPG-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.59
Rot. Bonds2

About 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde

2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde (PubChem CID 174251242) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde
PubChem CID174251242
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde
SMILESCc1nsc(CC=O)n1
InChIInChI=1S/C5H6N2OS/c1-4-6-5(2-3-8)9-7-4/h3H,2H2,1H3
InChIKeyDVWCBWVTHSBNPG-UHFFFAOYSA-N
XLogP0.59
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.59
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 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde?
The IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde (CID 174251242) is 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde is Cc1nsc(CC=O)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde?
The InChIKey is DVWCBWVTHSBNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-4-6-5(2-3-8)9-7-4/h3H,2H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde?
2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde has a molecular weight of 142.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetaldehyde is sourced from PubChem (CID 174251242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).