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

C6H8N4O2S2 — CID 7191088

IUPAC2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1nnc(SCC(N)=O)s1
InChIInChI=1S/C6H8N4O2S2/c1-3(11)8-5-9-10-6(14-5)13-2-4(7)12/h2H2,1H3,(H2,7,12)(H,8,9,11)
InChIKeyXYDQGALPQMBORY-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.07
Rot. Bonds4

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

2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7191088) has the molecular formula C6H8N4O2S2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID7191088
Molecular FormulaC6H8N4O2S2
Molecular Weight232.29 g/mol
Exact Mass232.01
IUPAC Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1nnc(SCC(N)=O)s1
InChIInChI=1S/C6H8N4O2S2/c1-3(11)8-5-9-10-6(14-5)13-2-4(7)12/h2H2,1H3,(H2,7,12)(H,8,9,11)
InChIKeyXYDQGALPQMBORY-UHFFFAOYSA-N
XLogP0.07
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.07
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]acetamide?
The IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 7191088) is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CC(=O)Nc1nnc(SCC(N)=O)s1.
What is the InChIKey of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XYDQGALPQMBORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S2/c1-3(11)8-5-9-10-6(14-5)13-2-4(7)12/h2H2,1H3,(H2,7,12)(H,8,9,11).
What are the key properties of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 232.29 g/mol, XLogP of 0.07, 4 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]acetamide is sourced from PubChem (CID 7191088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).