(5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate

C6H7N3O3S2 — CID 175149605

IUPAC(5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate
SMILESCC(=O)Nc1nnc(OC(=O)CS)s1
InChIInChI=1S/C6H7N3O3S2/c1-3(10)7-5-8-9-6(14-5)12-4(11)2-13/h13H,2H2,1H3,(H,7,8,10)
InChIKeySFKAWWAASICZLE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.33
Rot. Bonds3

About (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate

(5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate (PubChem CID 175149605) has the molecular formula C6H7N3O3S2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate.

Molecular Properties

Compound Name(5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate
PubChem CID175149605
Molecular FormulaC6H7N3O3S2
Molecular Weight233.27 g/mol
Exact Mass232.99
IUPAC Name(5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate
SMILESCC(=O)Nc1nnc(OC(=O)CS)s1
InChIInChI=1S/C6H7N3O3S2/c1-3(10)7-5-8-9-6(14-5)12-4(11)2-13/h13H,2H2,1H3,(H,7,8,10)
InChIKeySFKAWWAASICZLE-UHFFFAOYSA-N
XLogP0.33
TPSA81.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate?
The IUPAC name of (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate (CID 175149605) is (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate.
What is the SMILES notation for (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate?
The canonical SMILES for (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate is CC(=O)Nc1nnc(OC(=O)CS)s1.
What is the InChIKey of (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate?
The InChIKey is SFKAWWAASICZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S2/c1-3(10)7-5-8-9-6(14-5)12-4(11)2-13/h13H,2H2,1H3,(H,7,8,10).
What are the key properties of (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate?
(5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate has a molecular weight of 233.27 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-1,3,4-thiadiazol-2-yl) 2-sulfanylacetate is sourced from PubChem (CID 175149605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).