thiophene-2-carbonyl azide

C5H3N3OS — CID 4191066

IUPACthiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cccs1
InChIInChI=1S/C5H3N3OS/c6-8-7-5(9)4-2-1-3-10-4/h1-3H
InChIKeyCTBMQGOJWHCMGI-UHFFFAOYSA-N
MW153.17 g/mol
LogP2.20
Rot. Bonds1

About thiophene-2-carbonyl azide

thiophene-2-carbonyl azide (PubChem CID 4191066) has the molecular formula C5H3N3OS and a molecular weight of 153.17 g/mol. Its IUPAC name is thiophene-2-carbonyl azide.

Molecular Properties

Compound Namethiophene-2-carbonyl azide
PubChem CID4191066
Molecular FormulaC5H3N3OS
Molecular Weight153.17 g/mol
Exact Mass153.00
IUPAC Namethiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cccs1
InChIInChI=1S/C5H3N3OS/c6-8-7-5(9)4-2-1-3-10-4/h1-3H
InChIKeyCTBMQGOJWHCMGI-UHFFFAOYSA-N
XLogP2.20
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 thiophene-2-carbonyl azide 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 thiophene-2-carbonyl azide?
The IUPAC name of thiophene-2-carbonyl azide (CID 4191066) is thiophene-2-carbonyl azide.
What is the SMILES notation for thiophene-2-carbonyl azide?
The canonical SMILES for thiophene-2-carbonyl azide is [N-]=[N+]=NC(=O)c1cccs1.
What is the InChIKey of thiophene-2-carbonyl azide?
The InChIKey is CTBMQGOJWHCMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3OS/c6-8-7-5(9)4-2-1-3-10-4/h1-3H.
What are the key properties of thiophene-2-carbonyl azide?
thiophene-2-carbonyl azide has a molecular weight of 153.17 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carbonyl azide is sourced from PubChem (CID 4191066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).