3-bromo-10H-phenothiazin-1-amine

C12H9BrN2S — CID 15556091

IUPAC3-bromo-10H-phenothiazin-1-amine
SMILESNc1cc(Br)cc2c1Nc1ccccc1S2
InChIInChI=1S/C12H9BrN2S/c13-7-5-8(14)12-11(6-7)16-10-4-2-1-3-9(10)15-12/h1-6,15H,14H2
InChIKeyVREWJOBJOHMYJG-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.24
Rot. Bonds

About 3-bromo-10H-phenothiazin-1-amine

3-bromo-10H-phenothiazin-1-amine (PubChem CID 15556091) has the molecular formula C12H9BrN2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-bromo-10H-phenothiazin-1-amine.

Molecular Properties

Compound Name3-bromo-10H-phenothiazin-1-amine
PubChem CID15556091
Molecular FormulaC12H9BrN2S
Molecular Weight293.19 g/mol
Exact Mass291.97
IUPAC Name3-bromo-10H-phenothiazin-1-amine
SMILESNc1cc(Br)cc2c1Nc1ccccc1S2
InChIInChI=1S/C12H9BrN2S/c13-7-5-8(14)12-11(6-7)16-10-4-2-1-3-9(10)15-12/h1-6,15H,14H2
InChIKeyVREWJOBJOHMYJG-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-bromo-10H-phenothiazin-1-amine 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-bromo-7-nitro-10H-phenothiazine
CID 70692879
3-bromo-10H-phenothiazine
CID 283308
2-bromo-10H-phenothiazine
CID 13106350
10H-phenothiazine, 3-bromo-10-methyl-
CID 638529
3,7-dibromo-10H-phenothiazine
CID 3547115
1,3-Dinitro-7-bromophenothiazine
CID 129657464
1-bromo-10H-phenothiazine
CID 13082342
1-Aminophenothiazine
CID 15556090
(Dimethylamino)phenothiazin
CID 18934111
1,3-Dibromophenothiazine
CID 129779767
1-Methylaminophenothiazine
CID 129786254
3,7-dibromo-1-fluoro-10H-phenothiazine
CID 68227626

Frequently Asked Questions

What is the IUPAC name of 3-bromo-10H-phenothiazin-1-amine?
The IUPAC name of 3-bromo-10H-phenothiazin-1-amine (CID 15556091) is 3-bromo-10H-phenothiazin-1-amine.
What is the SMILES notation for 3-bromo-10H-phenothiazin-1-amine?
The canonical SMILES for 3-bromo-10H-phenothiazin-1-amine is Nc1cc(Br)cc2c1Nc1ccccc1S2.
What is the InChIKey of 3-bromo-10H-phenothiazin-1-amine?
The InChIKey is VREWJOBJOHMYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2S/c13-7-5-8(14)12-11(6-7)16-10-4-2-1-3-9(10)15-12/h1-6,15H,14H2.
What are the key properties of 3-bromo-10H-phenothiazin-1-amine?
3-bromo-10H-phenothiazin-1-amine has a molecular weight of 293.19 g/mol, XLogP of 4.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10H-phenothiazin-1-amine is sourced from PubChem (CID 15556091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).