4-chlorothiophene-3-carbonyl azide

C5H2ClN3OS — CID 50852478

IUPAC4-chlorothiophene-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cscc1Cl
InChIInChI=1S/C5H2ClN3OS/c6-4-2-11-1-3(4)5(10)8-9-7/h1-2H
InChIKeyZMIWAZPZQZIKLU-UHFFFAOYSA-N
MW187.61 g/mol
LogP2.85
Rot. Bonds1

About 4-chlorothiophene-3-carbonyl azide

4-chlorothiophene-3-carbonyl azide (PubChem CID 50852478) has the molecular formula C5H2ClN3OS and a molecular weight of 187.61 g/mol. Its IUPAC name is 4-chlorothiophene-3-carbonyl azide.

Molecular Properties

Compound Name4-chlorothiophene-3-carbonyl azide
PubChem CID50852478
Molecular FormulaC5H2ClN3OS
Molecular Weight187.61 g/mol
Exact Mass186.96
IUPAC Name4-chlorothiophene-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1cscc1Cl
InChIInChI=1S/C5H2ClN3OS/c6-4-2-11-1-3(4)5(10)8-9-7/h1-2H
InChIKeyZMIWAZPZQZIKLU-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

5-Chlorothiophene-3-carbonyl azide
CID 13189098
5-Chloro-4-methylthiophene-3-carboxamide
CID 18938080
4-chloro-N,N-dimethylthiophene-3-carboxamide
CID 23057993
4-Chlorothiophene-3-carboxamide
CID 23058085
4-Methylthiophene-3-carbonyl azide
CID 79808595
2,5-Dichlorothiophene-3-carbonyl azide
CID 107963418

Frequently Asked Questions

What is the IUPAC name of 4-chlorothiophene-3-carbonyl azide?
The IUPAC name of 4-chlorothiophene-3-carbonyl azide (CID 50852478) is 4-chlorothiophene-3-carbonyl azide.
What is the SMILES notation for 4-chlorothiophene-3-carbonyl azide?
The canonical SMILES for 4-chlorothiophene-3-carbonyl azide is [N-]=[N+]=NC(=O)c1cscc1Cl.
What is the InChIKey of 4-chlorothiophene-3-carbonyl azide?
The InChIKey is ZMIWAZPZQZIKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3OS/c6-4-2-11-1-3(4)5(10)8-9-7/h1-2H.
What are the key properties of 4-chlorothiophene-3-carbonyl azide?
4-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 4-chlorothiophene-3-carbonyl azide is sourced from PubChem (CID 50852478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).