9-aminobenzo[a]phenothiazin-5-one

C16H10N2OS — CID 58773564

IUPAC9-aminobenzo[a]phenothiazin-5-one
SMILESNc1ccc2nc3c4ccccc4c(=O)cc-3sc2c1
InChIInChI=1S/C16H10N2OS/c17-9-5-6-12-14(7-9)20-15-8-13(19)10-3-1-2-4-11(10)16(15)18-12/h1-8H,17H2
InChIKeyOFNFTFFEFUPIDU-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.50
Rot. Bonds

About 9-aminobenzo[a]phenothiazin-5-one

9-aminobenzo[a]phenothiazin-5-one (PubChem CID 58773564) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 9-aminobenzo[a]phenothiazin-5-one.

Molecular Properties

Compound Name9-aminobenzo[a]phenothiazin-5-one
PubChem CID58773564
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name9-aminobenzo[a]phenothiazin-5-one
SMILESNc1ccc2nc3c4ccccc4c(=O)cc-3sc2c1
InChIInChI=1S/C16H10N2OS/c17-9-5-6-12-14(7-9)20-15-8-13(19)10-3-1-2-4-11(10)16(15)18-12/h1-8H,17H2
InChIKeyOFNFTFFEFUPIDU-UHFFFAOYSA-N
XLogP3.50
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-iminophenothiazin-3-amine
CID 71326439
2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
2-(phenylsulfanylmethyl)-1,3-benzothiazol-6-amine
CID 79206609
2-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 3147179
2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
CID 173095043
3-[6-[6-(4-aminophenyl)phenanthridin-1-yl]-1,3-benzothiazol-2-yl]aniline
CID 138749726
(7-aminophenothiazin-3-ylidene)-dimethylazanium chloride
CID 13735
(1S,2S)-1,2-bis(6-amino-1,3-benzothiazol-2-yl)ethane-1,2-diol
CID 40579547
2-(dimethylamino)-1-fluorophenothiazin-3-one
CID 123742756
3,7-bis(dimethylamino)phenothiazin-1-one
CID 101450348
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699
2-N-(2-ethylphenyl)-1,3-benzothiazole-2,6-diamine
CID 63402819

Frequently Asked Questions

What is the IUPAC name of 9-aminobenzo[a]phenothiazin-5-one?
The IUPAC name of 9-aminobenzo[a]phenothiazin-5-one (CID 58773564) is 9-aminobenzo[a]phenothiazin-5-one.
What is the SMILES notation for 9-aminobenzo[a]phenothiazin-5-one?
The canonical SMILES for 9-aminobenzo[a]phenothiazin-5-one is Nc1ccc2nc3c4ccccc4c(=O)cc-3sc2c1.
What is the InChIKey of 9-aminobenzo[a]phenothiazin-5-one?
The InChIKey is OFNFTFFEFUPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c17-9-5-6-12-14(7-9)20-15-8-13(19)10-3-1-2-4-11(10)16(15)18-12/h1-8H,17H2.
What are the key properties of 9-aminobenzo[a]phenothiazin-5-one?
9-aminobenzo[a]phenothiazin-5-one has a molecular weight of 278.34 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aminobenzo[a]phenothiazin-5-one is sourced from PubChem (CID 58773564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).