5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide

C12H7F2N3O2S — CID 54562446

IUPAC5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C12H7F2N3O2S/c13-12(14)19-8-3-1-7(2-4-8)9-5-6-10(20-9)11(18)16-17-15/h1-6,12H
InChIKeyZRMSFBBIWHBKQI-UHFFFAOYSA-N
MW295.27 g/mol
LogP4.47
Rot. Bonds4

About 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide

5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide (PubChem CID 54562446) has the molecular formula C12H7F2N3O2S and a molecular weight of 295.27 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide
PubChem CID54562446
Molecular FormulaC12H7F2N3O2S
Molecular Weight295.27 g/mol
Exact Mass295.02
IUPAC Name5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C12H7F2N3O2S/c13-12(14)19-8-3-1-7(2-4-8)9-5-6-10(20-9)11(18)16-17-15/h1-6,12H
InChIKeyZRMSFBBIWHBKQI-UHFFFAOYSA-N
XLogP4.47
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 54.47
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'}

Analyze 5-[4-(difluoromethoxy)phenyl]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

Related Compounds

5-pyridin-4-ylthiophene-2-carbonyl azide
CID 89407572
ethyl 4-(5-carbonazidoylthiophen-2-yl)benzoate
CID 54340047
3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid
CID 119221199
[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone
CID 119402846
4-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173095
N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide
CID 119584154
5-(2-hydroxyphenyl)thiophene-2-carbonyl azide
CID 19819609
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
1-[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259014
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119638226
[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119468773
5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119825454

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide (CID 54562446) is 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide is [N-]=[N+]=NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide?
The InChIKey is ZRMSFBBIWHBKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O2S/c13-12(14)19-8-3-1-7(2-4-8)9-5-6-10(20-9)11(18)16-17-15/h1-6,12H.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide?
5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide has a molecular weight of 295.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide is sourced from PubChem (CID 54562446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).