(2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone

C11H10N4O2S — CID 102013919

IUPAC(2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone
SMILES[N-]=[N+]=Nc1ccccc1C(=O)N1CC=CCS1=O
InChIInChI=1S/C11H10N4O2S/c12-14-13-10-6-2-1-5-9(10)11(16)15-7-3-4-8-18(15)17/h1-6H,7-8H2
InChIKeyRYYPDGLWIDVLBS-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.30
Rot. Bonds2

About (2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone

(2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone (PubChem CID 102013919) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is (2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone.

Molecular Properties

Compound Name(2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone
PubChem CID102013919
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name(2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone
SMILES[N-]=[N+]=Nc1ccccc1C(=O)N1CC=CCS1=O
InChIInChI=1S/C11H10N4O2S/c12-14-13-10-6-2-1-5-9(10)11(16)15-7-3-4-8-18(15)17/h1-6H,7-8H2
InChIKeyRYYPDGLWIDVLBS-UHFFFAOYSA-N
XLogP2.30
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.30
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': 'isolated_alkene', '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-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone?
The IUPAC name of (2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone (CID 102013919) is (2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone.
What is the SMILES notation for (2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone?
The canonical SMILES for (2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone is [N-]=[N+]=Nc1ccccc1C(=O)N1CC=CCS1=O.
What is the InChIKey of (2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone?
The InChIKey is RYYPDGLWIDVLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c12-14-13-10-6-2-1-5-9(10)11(16)15-7-3-4-8-18(15)17/h1-6H,7-8H2.
What are the key properties of (2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone?
(2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone has a molecular weight of 262.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azidophenyl)-(1-oxo-3,6-dihydrothiazin-2-yl)methanone is sourced from PubChem (CID 102013919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).