2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide

C5H8N6O2S — CID 19374157

IUPAC2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1[nH]nnc1=S
InChIInChI=1S/C5H8N6O2S/c6-3(12)1-7-4(13)2-11-5(14)8-9-10-11/h1-2H2,(H2,6,12)(H,7,13)(H,8,10,14)
InChIKeyWAJKMIWXKJCFQH-UHFFFAOYSA-N
MW216.23 g/mol
LogP-2.06
Rot. Bonds4

About 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide

2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide (PubChem CID 19374157) has the molecular formula C5H8N6O2S and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide
PubChem CID19374157
Molecular FormulaC5H8N6O2S
Molecular Weight216.23 g/mol
Exact Mass216.04
IUPAC Name2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1[nH]nnc1=S
InChIInChI=1S/C5H8N6O2S/c6-3(12)1-7-4(13)2-11-5(14)8-9-10-11/h1-2H2,(H2,6,12)(H,7,13)(H,8,10,14)
InChIKeyWAJKMIWXKJCFQH-UHFFFAOYSA-N
XLogP-2.06
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide?
The IUPAC name of 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide (CID 19374157) is 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide is NC(=O)CNC(=O)Cn1[nH]nnc1=S.
What is the InChIKey of 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide?
The InChIKey is WAJKMIWXKJCFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O2S/c6-3(12)1-7-4(13)2-11-5(14)8-9-10-11/h1-2H2,(H2,6,12)(H,7,13)(H,8,10,14).
What are the key properties of 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide?
2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide has a molecular weight of 216.23 g/mol, XLogP of -2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-sulfanylidene-2H-tetrazol-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 19374157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).