7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one

C10H7N3O3S — CID 687505

IUPAC7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2SC2=NCCN12
InChIInChI=1S/C10H7N3O3S/c14-9-7-5-6(13(15)16)1-2-8(7)17-10-11-3-4-12(9)10/h1-2,5H,3-4H2
InChIKeyHNVAZHADJCCCSV-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.51
Rot. Bonds1

About 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one

7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one (PubChem CID 687505) has the molecular formula C10H7N3O3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one.

Molecular Properties

Compound Name7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one
PubChem CID687505
Molecular FormulaC10H7N3O3S
Molecular Weight249.25 g/mol
Exact Mass249.02
IUPAC Name7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2SC2=NCCN12
InChIInChI=1S/C10H7N3O3S/c14-9-7-5-6(13(15)16)1-2-8(7)17-10-11-3-4-12(9)10/h1-2,5H,3-4H2
InChIKeyHNVAZHADJCCCSV-UHFFFAOYSA-N
XLogP1.51
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one?
The IUPAC name of 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one (CID 687505) is 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one.
What is the SMILES notation for 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one?
The canonical SMILES for 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one is O=C1c2cc([N+](=O)[O-])ccc2SC2=NCCN12.
What is the InChIKey of 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one?
The InChIKey is HNVAZHADJCCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S/c14-9-7-5-6(13(15)16)1-2-8(7)17-10-11-3-4-12(9)10/h1-2,5H,3-4H2.
What are the key properties of 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one?
7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one has a molecular weight of 249.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one is sourced from PubChem (CID 687505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).