7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride

C14H14ClN3S — CID 14274774

IUPAC7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride
SMILESCl.[H]/N=c1\ccc2nc3ccc(N(C)C)cc3sc-2c1
InChIInChI=1S/C14H13N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8,15H,1-2H3;1H/b15-9+;
InChIKeyNALREUIWICQLPS-NSPIFIKESA-N
MW291.81 g/mol
LogP3.37
Rot. Bonds1

About 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride

7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride (PubChem CID 14274774) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride.

Molecular Properties

Compound Name7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride
PubChem CID14274774
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride
SMILESCl.[H]/N=c1\ccc2nc3ccc(N(C)C)cc3sc-2c1
InChIInChI=1S/C14H13N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8,15H,1-2H3;1H/b15-9+;
InChIKeyNALREUIWICQLPS-NSPIFIKESA-N
XLogP3.37
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride?
The IUPAC name of 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride (CID 14274774) is 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride.
What is the SMILES notation for 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride?
The canonical SMILES for 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride is Cl.[H]/N=c1\ccc2nc3ccc(N(C)C)cc3sc-2c1.
What is the InChIKey of 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride?
The InChIKey is NALREUIWICQLPS-NSPIFIKESA-N. The full InChI is InChI=1S/C14H13N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8,15H,1-2H3;1H/b15-9+;.
What are the key properties of 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride?
7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride has a molecular weight of 291.81 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride is sourced from PubChem (CID 14274774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).