N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine

C14H11BrN2S — CID 135032583

IUPACN-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine
SMILESBrc1ccccc1NC1=Nc2ccccc2CS1
InChIInChI=1S/C14H11BrN2S/c15-11-6-2-4-8-13(11)17-14-16-12-7-3-1-5-10(12)9-18-14/h1-8H,9H2,(H,16,17)
InChIKeyIYXUCFPXLCFPOK-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.80
Rot. Bonds1

About N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine

N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine (PubChem CID 135032583) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine
PubChem CID135032583
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC NameN-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine
SMILESBrc1ccccc1NC1=Nc2ccccc2CS1
InChIInChI=1S/C14H11BrN2S/c15-11-6-2-4-8-13(11)17-14-16-12-7-3-1-5-10(12)9-18-14/h1-8H,9H2,(H,16,17)
InChIKeyIYXUCFPXLCFPOK-UHFFFAOYSA-N
XLogP4.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenyl-4H-3,1-benzothiazin-2-amine
CID 2998436
2-(4-bromophenyl)quinazoline-4(3H)-thione
CID 2118160
2-benzylsulfanyl-1H-quinazoline-4-thione
CID 833786
(4H-Benzo[d][1,3]thiazin-2-yl)-p-tolyl-amine
CID 2999727
5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3094859
(4H-Benzo[d][1,3]thiazin-2-yl)-o-tolyl-amine
CID 135413417
N-(2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2384869
3-(2-Bromophenyl)-2-methylsulfanylquinazoline-4-thione
CID 25020295
N-(4-bromophenyl)-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
CID 90671458
(5Z)-5-[(4-bromophenyl)methylidene]-N-(4-fluorophenyl)-4,4-dimethyl-1,3-thiazol-2-amine
CID 172455125
(5Z)-N-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-4,4-dimethyl-1,3-thiazol-2-amine
CID 172456069
(5Z)-5-[(4-bromophenyl)methylidene]-4,4-dimethyl-N-phenyl-1,3-thiazol-2-amine
CID 172457357

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine (CID 135032583) is N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine is Brc1ccccc1NC1=Nc2ccccc2CS1.
What is the InChIKey of N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine?
The InChIKey is IYXUCFPXLCFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c15-11-6-2-4-8-13(11)17-14-16-12-7-3-1-5-10(12)9-18-14/h1-8H,9H2,(H,16,17).
What are the key properties of N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine?
N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine has a molecular weight of 319.23 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 135032583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).