2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide

C5H6ClN3OS2 — CID 2761303

IUPAC2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide
SMILESCSc1nc(NC(=O)CCl)ns1
InChIInChI=1S/C5H6ClN3OS2/c1-11-5-8-4(9-12-5)7-3(10)2-6/h2H2,1H3,(H,7,9,10)
InChIKeyUWBBMLMYQAUXAR-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.44
Rot. Bonds3

About 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide

2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide (PubChem CID 2761303) has the molecular formula C5H6ClN3OS2 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide
PubChem CID2761303
Molecular FormulaC5H6ClN3OS2
Molecular Weight223.71 g/mol
Exact Mass222.96
IUPAC Name2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide
SMILESCSc1nc(NC(=O)CCl)ns1
InChIInChI=1S/C5H6ClN3OS2/c1-11-5-8-4(9-12-5)7-3(10)2-6/h2H2,1H3,(H,7,9,10)
InChIKeyUWBBMLMYQAUXAR-UHFFFAOYSA-N
XLogP1.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide (CID 2761303) is 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide is CSc1nc(NC(=O)CCl)ns1.
What is the InChIKey of 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide?
The InChIKey is UWBBMLMYQAUXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3OS2/c1-11-5-8-4(9-12-5)7-3(10)2-6/h2H2,1H3,(H,7,9,10).
What are the key properties of 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide?
2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide has a molecular weight of 223.71 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)acetamide is sourced from PubChem (CID 2761303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).