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

C9H10BrNS — CID 84631089

IUPAC5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
SMILESCN1CCSc2cccc(Br)c21
InChIInChI=1S/C9H10BrNS/c1-11-5-6-12-8-4-2-3-7(10)9(8)11/h2-4H,5-6H2,1H3
InChIKeyMOJGMSVHVRXFIE-UHFFFAOYSA-N
MW244.16 g/mol
LogP2.99
Rot. Bonds

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

5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 84631089) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
PubChem CID84631089
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
SMILESCN1CCSc2cccc(Br)c21
InChIInChI=1S/C9H10BrNS/c1-11-5-6-12-8-4-2-3-7(10)9(8)11/h2-4H,5-6H2,1H3
InChIKeyMOJGMSVHVRXFIE-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-methyl-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

3-amino-1-(5-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84644601
ethane;4-methyl-2,3-dihydro-1,4-benzothiazine
CID 142222955
5-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 83823671
2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 84621697
2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 84633958
3-(5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine
CID 84645581
8-bromo-1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile
CID 83760267
12-methyl-4-thia-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 177208384
4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 84739665
2-(5-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoacetic acid
CID 84628824
2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84639627
6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84618553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine (CID 84631089) is 5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine is CN1CCSc2cccc(Br)c21.
What is the InChIKey of 5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is MOJGMSVHVRXFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c1-11-5-6-12-8-4-2-3-7(10)9(8)11/h2-4H,5-6H2,1H3.
What are the key properties of 5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine?
5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 244.16 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 84631089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).