azane;1-(3,7-diaminophenothiazin-10-yl)ethanone

C14H16N4OS — CID 67214426

IUPACazane;1-(3,7-diaminophenothiazin-10-yl)ethanone
SMILESCC(=O)N1c2ccc(N)cc2Sc2cc(N)ccc21.N
InChIInChI=1S/C14H13N3OS.H3N/c1-8(18)17-11-4-2-9(15)6-13(11)19-14-7-10(16)3-5-12(14)17;/h2-7H,15-16H2,1H3;1H3
InChIKeyAIZJDCPZNCZIBB-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.16
Rot. Bonds

About azane;1-(3,7-diaminophenothiazin-10-yl)ethanone

azane;1-(3,7-diaminophenothiazin-10-yl)ethanone (PubChem CID 67214426) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is azane;1-(3,7-diaminophenothiazin-10-yl)ethanone.

Molecular Properties

Compound Nameazane;1-(3,7-diaminophenothiazin-10-yl)ethanone
PubChem CID67214426
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Nameazane;1-(3,7-diaminophenothiazin-10-yl)ethanone
SMILESCC(=O)N1c2ccc(N)cc2Sc2cc(N)ccc21.N
InChIInChI=1S/C14H13N3OS.H3N/c1-8(18)17-11-4-2-9(15)6-13(11)19-14-7-10(16)3-5-12(14)17;/h2-7H,15-16H2,1H3;1H3
InChIKeyAIZJDCPZNCZIBB-UHFFFAOYSA-N
XLogP3.16
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylsulfinylphenothiazin-10-yl)ethanone
CID 154392088
(7-amino-10-methylphenothiazin-3-yl)-phenylmethanone
CID 44968124
1-acetyl-5-amino-3H-indol-2-one
CID 12046998
3,7-bis(dimethylamino)phenothiazine-10-carbonyl chloride
CID 23558007
ethyl 3-amino-7-azabicyclo[4.1.0]hepta-1(6),2,4-triene-7-carboxylate
CID 19902709
1-[(2E)-2-(1-sulfanylethylidene)-1,3-benzothiazol-3-yl]ethanone
CID 163654376
1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride
CID 142626465
2-(6-amino-3-oxo-1,4-benzothiazin-4-yl)-2-oxoacetaldehyde
CID 115165953
7-amino-2,2,4-trimethyl-1,4-benzothiazin-3-one
CID 84615499
2-(7-amino-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615525
2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615491
7-amino-2-methyl-4-(2-methylprop-2-enyl)-1,4-benzothiazin-3-one
CID 84615543

Frequently Asked Questions

What is the IUPAC name of azane;1-(3,7-diaminophenothiazin-10-yl)ethanone?
The IUPAC name of azane;1-(3,7-diaminophenothiazin-10-yl)ethanone (CID 67214426) is azane;1-(3,7-diaminophenothiazin-10-yl)ethanone.
What is the SMILES notation for azane;1-(3,7-diaminophenothiazin-10-yl)ethanone?
The canonical SMILES for azane;1-(3,7-diaminophenothiazin-10-yl)ethanone is CC(=O)N1c2ccc(N)cc2Sc2cc(N)ccc21.N.
What is the InChIKey of azane;1-(3,7-diaminophenothiazin-10-yl)ethanone?
The InChIKey is AIZJDCPZNCZIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS.H3N/c1-8(18)17-11-4-2-9(15)6-13(11)19-14-7-10(16)3-5-12(14)17;/h2-7H,15-16H2,1H3;1H3.
What are the key properties of azane;1-(3,7-diaminophenothiazin-10-yl)ethanone?
azane;1-(3,7-diaminophenothiazin-10-yl)ethanone has a molecular weight of 288.38 g/mol, XLogP of 3.16, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(3,7-diaminophenothiazin-10-yl)ethanone is sourced from PubChem (CID 67214426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).