2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide

C9H12N4O2S2 — CID 1462703

IUPAC2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide
SMILESCC(=O)Nc1nnc(SCC(=O)NC2CC2)s1
InChIInChI=1S/C9H12N4O2S2/c1-5(14)10-8-12-13-9(17-8)16-4-7(15)11-6-2-3-6/h6H,2-4H2,1H3,(H,11,15)(H,10,12,14)
InChIKeyHORAFHHMIXBSOL-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.87
Rot. Bonds5

About 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide

2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide (PubChem CID 1462703) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide
PubChem CID1462703
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide
SMILESCC(=O)Nc1nnc(SCC(=O)NC2CC2)s1
InChIInChI=1S/C9H12N4O2S2/c1-5(14)10-8-12-13-9(17-8)16-4-7(15)11-6-2-3-6/h6H,2-4H2,1H3,(H,11,15)(H,10,12,14)
InChIKeyHORAFHHMIXBSOL-UHFFFAOYSA-N
XLogP0.87
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide (CID 1462703) is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide is CC(=O)Nc1nnc(SCC(=O)NC2CC2)s1.
What is the InChIKey of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide?
The InChIKey is HORAFHHMIXBSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-5(14)10-8-12-13-9(17-8)16-4-7(15)11-6-2-3-6/h6H,2-4H2,1H3,(H,11,15)(H,10,12,14).
What are the key properties of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide?
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide has a molecular weight of 272.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide is sourced from PubChem (CID 1462703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).