4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride

C16H17ClN2OS — CID 6603292

IUPAC4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H16N2OS.ClH/c17-11-5-10-16(19)18-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)18;/h1-4,6-9H,5,10-11,17H2;1H
InChIKeyNYLJHEYIUSJREZ-UHFFFAOYSA-N
MW320.84 g/mol
LogP3.98
Rot. Bonds3

About 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride

4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride (PubChem CID 6603292) has the molecular formula C16H17ClN2OS and a molecular weight of 320.84 g/mol. Its IUPAC name is 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride
PubChem CID6603292
Molecular FormulaC16H17ClN2OS
Molecular Weight320.84 g/mol
Exact Mass320.08
IUPAC Name4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H16N2OS.ClH/c17-11-5-10-16(19)18-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)18;/h1-4,6-9H,5,10-11,17H2;1H
InChIKeyNYLJHEYIUSJREZ-UHFFFAOYSA-N
XLogP3.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride (CID 6603292) is 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride is Cl.NCCCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride?
The InChIKey is NYLJHEYIUSJREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS.ClH/c17-11-5-10-16(19)18-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)18;/h1-4,6-9H,5,10-11,17H2;1H.
What are the key properties of 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride?
4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-phenothiazin-10-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 6603292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).