10-methylphenothiazin-3-amine

C13H12N2S — CID 717880

IUPAC10-methylphenothiazin-3-amine
SMILESCN1c2ccccc2Sc2cc(N)ccc21
InChIInChI=1S/C13H12N2S/c1-15-10-4-2-3-5-12(10)16-13-8-9(14)6-7-11(13)15/h2-8H,14H2,1H3
InChIKeyHFXCUJLZEIBVQQ-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.50
Rot. Bonds

About 10-methylphenothiazin-3-amine

10-methylphenothiazin-3-amine (PubChem CID 717880) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 10-methylphenothiazin-3-amine.

Molecular Properties

Compound Name10-methylphenothiazin-3-amine
PubChem CID717880
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name10-methylphenothiazin-3-amine
SMILESCN1c2ccccc2Sc2cc(N)ccc21
InChIInChI=1S/C13H12N2S/c1-15-10-4-2-3-5-12(10)16-13-8-9(14)6-7-11(13)15/h2-8H,14H2,1H3
InChIKeyHFXCUJLZEIBVQQ-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methylphenothiazin-3-amine?
The IUPAC name of 10-methylphenothiazin-3-amine (CID 717880) is 10-methylphenothiazin-3-amine.
What is the SMILES notation for 10-methylphenothiazin-3-amine?
The canonical SMILES for 10-methylphenothiazin-3-amine is CN1c2ccccc2Sc2cc(N)ccc21.
What is the InChIKey of 10-methylphenothiazin-3-amine?
The InChIKey is HFXCUJLZEIBVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-15-10-4-2-3-5-12(10)16-13-8-9(14)6-7-11(13)15/h2-8H,14H2,1H3.
What are the key properties of 10-methylphenothiazin-3-amine?
10-methylphenothiazin-3-amine has a molecular weight of 228.32 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylphenothiazin-3-amine is sourced from PubChem (CID 717880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).