1-(5-azidothiophen-2-yl)ethanone

C6H5N3OS — CID 10725757

IUPAC1-(5-azidothiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(N=[N+]=[N-])s1
InChIInChI=1S/C6H5N3OS/c1-4(10)5-2-3-6(11-5)8-9-7/h2-3H,1H3
InChIKeyWYCJEOJUAQTPCB-UHFFFAOYSA-N
MW167.19 g/mol
LogP2.89
Rot. Bonds2

About 1-(5-azidothiophen-2-yl)ethanone

1-(5-azidothiophen-2-yl)ethanone (PubChem CID 10725757) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 1-(5-azidothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-azidothiophen-2-yl)ethanone
PubChem CID10725757
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name1-(5-azidothiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(N=[N+]=[N-])s1
InChIInChI=1S/C6H5N3OS/c1-4(10)5-2-3-6(11-5)8-9-7/h2-3H,1H3
InChIKeyWYCJEOJUAQTPCB-UHFFFAOYSA-N
XLogP2.89
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-azidothiophen-2-yl)ethanone?
The IUPAC name of 1-(5-azidothiophen-2-yl)ethanone (CID 10725757) is 1-(5-azidothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-azidothiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-azidothiophen-2-yl)ethanone is CC(=O)c1ccc(N=[N+]=[N-])s1.
What is the InChIKey of 1-(5-azidothiophen-2-yl)ethanone?
The InChIKey is WYCJEOJUAQTPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c1-4(10)5-2-3-6(11-5)8-9-7/h2-3H,1H3.
What are the key properties of 1-(5-azidothiophen-2-yl)ethanone?
1-(5-azidothiophen-2-yl)ethanone has a molecular weight of 167.19 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azidothiophen-2-yl)ethanone is sourced from PubChem (CID 10725757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).