2-azido-1-(3-ethoxythiophen-2-yl)ethanone

C8H9N3O2S — CID 150504144

IUPAC2-azido-1-(3-ethoxythiophen-2-yl)ethanone
SMILESCCOc1ccsc1C(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H9N3O2S/c1-2-13-7-3-4-14-8(7)6(12)5-10-11-9/h3-4H,2,5H2,1H3
InChIKeyHYLBNYBBPNMIJC-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.64
Rot. Bonds5

About 2-azido-1-(3-ethoxythiophen-2-yl)ethanone

2-azido-1-(3-ethoxythiophen-2-yl)ethanone (PubChem CID 150504144) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-azido-1-(3-ethoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-azido-1-(3-ethoxythiophen-2-yl)ethanone
PubChem CID150504144
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name2-azido-1-(3-ethoxythiophen-2-yl)ethanone
SMILESCCOc1ccsc1C(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H9N3O2S/c1-2-13-7-3-4-14-8(7)6(12)5-10-11-9/h3-4H,2,5H2,1H3
InChIKeyHYLBNYBBPNMIJC-UHFFFAOYSA-N
XLogP2.64
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-1-(3-ethoxythiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(3-ethoxythiophen-2-yl)ethanone?
The IUPAC name of 2-azido-1-(3-ethoxythiophen-2-yl)ethanone (CID 150504144) is 2-azido-1-(3-ethoxythiophen-2-yl)ethanone.
What is the SMILES notation for 2-azido-1-(3-ethoxythiophen-2-yl)ethanone?
The canonical SMILES for 2-azido-1-(3-ethoxythiophen-2-yl)ethanone is CCOc1ccsc1C(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-1-(3-ethoxythiophen-2-yl)ethanone?
The InChIKey is HYLBNYBBPNMIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-2-13-7-3-4-14-8(7)6(12)5-10-11-9/h3-4H,2,5H2,1H3.
What are the key properties of 2-azido-1-(3-ethoxythiophen-2-yl)ethanone?
2-azido-1-(3-ethoxythiophen-2-yl)ethanone has a molecular weight of 211.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(3-ethoxythiophen-2-yl)ethanone is sourced from PubChem (CID 150504144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).