2-sulfanyl-N-(thiadiazol-4-yl)acetamide

C4H5N3OS2 — CID 154162571

IUPAC2-sulfanyl-N-(thiadiazol-4-yl)acetamide
SMILESO=C(CS)Nc1csnn1
InChIInChI=1S/C4H5N3OS2/c8-4(1-9)5-3-2-10-7-6-3/h2,9H,1H2,(H,5,8)
InChIKeyIFPSHPIRUKRAJN-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.41
Rot. Bonds2

About 2-sulfanyl-N-(thiadiazol-4-yl)acetamide

2-sulfanyl-N-(thiadiazol-4-yl)acetamide (PubChem CID 154162571) has the molecular formula C4H5N3OS2 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-sulfanyl-N-(thiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-sulfanyl-N-(thiadiazol-4-yl)acetamide
PubChem CID154162571
Molecular FormulaC4H5N3OS2
Molecular Weight175.24 g/mol
Exact Mass174.99
IUPAC Name2-sulfanyl-N-(thiadiazol-4-yl)acetamide
SMILESO=C(CS)Nc1csnn1
InChIInChI=1S/C4H5N3OS2/c8-4(1-9)5-3-2-10-7-6-3/h2,9H,1H2,(H,5,8)
InChIKeyIFPSHPIRUKRAJN-UHFFFAOYSA-N
XLogP0.41
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-N-(thiadiazol-4-yl)acetamide?
The IUPAC name of 2-sulfanyl-N-(thiadiazol-4-yl)acetamide (CID 154162571) is 2-sulfanyl-N-(thiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-sulfanyl-N-(thiadiazol-4-yl)acetamide?
The canonical SMILES for 2-sulfanyl-N-(thiadiazol-4-yl)acetamide is O=C(CS)Nc1csnn1.
What is the InChIKey of 2-sulfanyl-N-(thiadiazol-4-yl)acetamide?
The InChIKey is IFPSHPIRUKRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS2/c8-4(1-9)5-3-2-10-7-6-3/h2,9H,1H2,(H,5,8).
What are the key properties of 2-sulfanyl-N-(thiadiazol-4-yl)acetamide?
2-sulfanyl-N-(thiadiazol-4-yl)acetamide has a molecular weight of 175.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-(thiadiazol-4-yl)acetamide is sourced from PubChem (CID 154162571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).