2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide

C13H17N7O2S — CID 173494160

IUPAC2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide
SMILES[H]/N=C(/NC(=O)CN1CCN(C(=O)CN=[N+]=[N-])CC1)c1cccs1
InChIInChI=1S/C13H17N7O2S/c14-13(10-2-1-7-23-10)17-11(21)9-19-3-5-20(6-4-19)12(22)8-16-18-15/h1-2,7H,3-6,8-9H2,(H2,14,17,21)
InChIKeyWAXOJVVPKIYXNK-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.64
Rot. Bonds5

About 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide

2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide (PubChem CID 173494160) has the molecular formula C13H17N7O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide
PubChem CID173494160
Molecular FormulaC13H17N7O2S
Molecular Weight335.39 g/mol
Exact Mass335.12
IUPAC Name2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide
SMILES[H]/N=C(/NC(=O)CN1CCN(C(=O)CN=[N+]=[N-])CC1)c1cccs1
InChIInChI=1S/C13H17N7O2S/c14-13(10-2-1-7-23-10)17-11(21)9-19-3-5-20(6-4-19)12(22)8-16-18-15/h1-2,7H,3-6,8-9H2,(H2,14,17,21)
InChIKeyWAXOJVVPKIYXNK-UHFFFAOYSA-N
XLogP0.64
TPSA125.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide?
The IUPAC name of 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide (CID 173494160) is 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide.
What is the SMILES notation for 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide?
The canonical SMILES for 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide is [H]/N=C(/NC(=O)CN1CCN(C(=O)CN=[N+]=[N-])CC1)c1cccs1.
What is the InChIKey of 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide?
The InChIKey is WAXOJVVPKIYXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O2S/c14-13(10-2-1-7-23-10)17-11(21)9-19-3-5-20(6-4-19)12(22)8-16-18-15/h1-2,7H,3-6,8-9H2,(H2,14,17,21).
What are the key properties of 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide?
2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide has a molecular weight of 335.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-azidoacetyl)piperazin-1-yl]-N-(thiophene-2-carboximidoyl)acetamide is sourced from PubChem (CID 173494160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).