4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine

C9H10N2O2S — CID 12869182

IUPAC4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine
SMILESCN1CCSc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C9H10N2O2S/c1-10-5-6-14-8-4-2-3-7(9(8)10)11(12)13/h2-4H,5-6H2,1H3
InChIKeyUAUUZASFHVDLFZ-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.14
Rot. Bonds1

About 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine

4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine (PubChem CID 12869182) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine
PubChem CID12869182
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine
SMILESCN1CCSc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C9H10N2O2S/c1-10-5-6-14-8-4-2-3-7(9(8)10)11(12)13/h2-4H,5-6H2,1H3
InChIKeyUAUUZASFHVDLFZ-UHFFFAOYSA-N
XLogP2.14
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine 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-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84631089
(4S)-5-nitro-3,4-dihydro-2H-thiochromen-4-amine
CID 130642913
1-(2,6-dinitrophenyl)-4-(2-methylpropyl)piperazine
CID 174454326
4-methyl-N-(2-methyl-6-nitrophenyl)piperazin-1-amine
CID 83026355
1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperazine-2,3-dione
CID 107348517
2-methyl-3-methylidene-7-nitro-1H-isoindole
CID 150199954
N-(2-fluoro-6-nitrophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81305887
hydrazine;1,2,3-trinitrobenzene
CID 174855794
4,6-dinitrophenoxathiine
CID 102101397
1-(2-fluoro-3-nitrophenyl)-3-methylimidazolidin-2-one
CID 166454408
2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine
CID 133357599
N-(2-methyl-3-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18097679

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine (CID 12869182) is 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine is CN1CCSc2cccc([N+](=O)[O-])c21.
What is the InChIKey of 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine?
The InChIKey is UAUUZASFHVDLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-10-5-6-14-8-4-2-3-7(9(8)10)11(12)13/h2-4H,5-6H2,1H3.
What are the key properties of 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine?
4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine has a molecular weight of 210.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 12869182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).