5-chlorothiophene-3-carbonyl azide

C5H2ClN3OS — CID 13189098

IUPAC5-chlorothiophene-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1csc(Cl)c1
InChIInChI=1S/C5H2ClN3OS/c6-4-1-3(2-11-4)5(10)8-9-7/h1-2H
InChIKeyQZCIFVHGAGZBLN-UHFFFAOYSA-N
MW187.61 g/mol
LogP2.85
Rot. Bonds1

About 5-chlorothiophene-3-carbonyl azide

5-chlorothiophene-3-carbonyl azide (PubChem CID 13189098) has the molecular formula C5H2ClN3OS and a molecular weight of 187.61 g/mol. Its IUPAC name is 5-chlorothiophene-3-carbonyl azide.

Molecular Properties

Compound Name5-chlorothiophene-3-carbonyl azide
PubChem CID13189098
Molecular FormulaC5H2ClN3OS
Molecular Weight187.61 g/mol
Exact Mass186.96
IUPAC Name5-chlorothiophene-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1csc(Cl)c1
InChIInChI=1S/C5H2ClN3OS/c6-4-1-3(2-11-4)5(10)8-9-7/h1-2H
InChIKeyQZCIFVHGAGZBLN-UHFFFAOYSA-N
XLogP2.85
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.61
LogP ≤ 52.85
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'}

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Related Compounds

2,5-Dichloro-3-thiophenecarbonyl isothiocyanate
CID 107963455
5-Chlorothiophene-3-carboxamide
CID 818858
Thiophene-3-carbonyl azide
CID 12348183
2,5-Dichlorothiophene-3-carboxamide
CID 17804711
5-chloro-N-diaminophosphorylthiophene-3-carboxamide
CID 18938022
2-Chlorothiophene-3-carboxamide
CID 18938140
5-Chlorothiophene-3-carbohydrazide
CID 131067754
4-Chlorothiophene-3-carbonyl azide
CID 50852478
5-Iodothiophene-3-carbonyl azide
CID 79694078
2,5-Dichlorothiophene-3-carbonyl azide
CID 107963418
2,5-Dichlorothiophene-3-carbonyl isocyanate
CID 107970766
[(5-Chlorothiophene-3-carbonyl)amino]urea
CID 130639850

Frequently Asked Questions

What is the IUPAC name of 5-chlorothiophene-3-carbonyl azide?
The IUPAC name of 5-chlorothiophene-3-carbonyl azide (CID 13189098) is 5-chlorothiophene-3-carbonyl azide.
What is the SMILES notation for 5-chlorothiophene-3-carbonyl azide?
The canonical SMILES for 5-chlorothiophene-3-carbonyl azide is [N-]=[N+]=NC(=O)c1csc(Cl)c1.
What is the InChIKey of 5-chlorothiophene-3-carbonyl azide?
The InChIKey is QZCIFVHGAGZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3OS/c6-4-1-3(2-11-4)5(10)8-9-7/h1-2H.
What are the key properties of 5-chlorothiophene-3-carbonyl azide?
5-chlorothiophene-3-carbonyl azide has a molecular weight of 187.61 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorothiophene-3-carbonyl azide is sourced from PubChem (CID 13189098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).