2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one

C18H15NOS — CID 15621529

IUPAC2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccccc2)CC2=C1Sc1ccccc1N2
InChIInChI=1S/C18H15NOS/c20-16-11-13(12-6-2-1-3-7-12)10-15-18(16)21-17-9-5-4-8-14(17)19-15/h1-9,13,19H,10-11H2
InChIKeyOGHSSZIJQASIDK-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.56
Rot. Bonds1

About 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one

2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one (PubChem CID 15621529) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one.

Molecular Properties

Compound Name2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
PubChem CID15621529
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccccc2)CC2=C1Sc1ccccc1N2
InChIInChI=1S/C18H15NOS/c20-16-11-13(12-6-2-1-3-7-12)10-15-18(16)21-17-9-5-4-8-14(17)19-15/h1-9,13,19H,10-11H2
InChIKeyOGHSSZIJQASIDK-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_66_one(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
The IUPAC name of 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one (CID 15621529) is 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one.
What is the SMILES notation for 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
The canonical SMILES for 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one is O=C1CC(c2ccccc2)CC2=C1Sc1ccccc1N2.
What is the InChIKey of 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
The InChIKey is OGHSSZIJQASIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c20-16-11-13(12-6-2-1-3-7-12)10-15-18(16)21-17-9-5-4-8-14(17)19-15/h1-9,13,19H,10-11H2.
What are the key properties of 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one has a molecular weight of 293.39 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one is sourced from PubChem (CID 15621529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).