2-(methylamino)thiophene-3-carbonyl azide

C6H6N4OS — CID 15470975

IUPAC2-(methylamino)thiophene-3-carbonyl azide
SMILESCNc1sccc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C6H6N4OS/c1-8-6-4(2-3-12-6)5(11)9-10-7/h2-3,8H,1H3
InChIKeyYQHOZKQXMIYEEV-UHFFFAOYSA-N
MW182.21 g/mol
LogP2.24
Rot. Bonds2

About 2-(methylamino)thiophene-3-carbonyl azide

2-(methylamino)thiophene-3-carbonyl azide (PubChem CID 15470975) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-(methylamino)thiophene-3-carbonyl azide.

Molecular Properties

Compound Name2-(methylamino)thiophene-3-carbonyl azide
PubChem CID15470975
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name2-(methylamino)thiophene-3-carbonyl azide
SMILESCNc1sccc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C6H6N4OS/c1-8-6-4(2-3-12-6)5(11)9-10-7/h2-3,8H,1H3
InChIKeyYQHOZKQXMIYEEV-UHFFFAOYSA-N
XLogP2.24
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
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 2-(methylamino)thiophene-3-carbonyl azide?
The IUPAC name of 2-(methylamino)thiophene-3-carbonyl azide (CID 15470975) is 2-(methylamino)thiophene-3-carbonyl azide.
What is the SMILES notation for 2-(methylamino)thiophene-3-carbonyl azide?
The canonical SMILES for 2-(methylamino)thiophene-3-carbonyl azide is CNc1sccc1C(=O)N=[N+]=[N-].
What is the InChIKey of 2-(methylamino)thiophene-3-carbonyl azide?
The InChIKey is YQHOZKQXMIYEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-8-6-4(2-3-12-6)5(11)9-10-7/h2-3,8H,1H3.
What are the key properties of 2-(methylamino)thiophene-3-carbonyl azide?
2-(methylamino)thiophene-3-carbonyl azide has a molecular weight of 182.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)thiophene-3-carbonyl azide is sourced from PubChem (CID 15470975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).