1-phenothiazin-10-yl-2-phenylethanone

C20H15NOS — CID 1238015

IUPAC1-phenothiazin-10-yl-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NOS/c22-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13H,14H2
InChIKeyODRJXAKDUXFICI-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.06
Rot. Bonds2

About 1-phenothiazin-10-yl-2-phenylethanone

1-phenothiazin-10-yl-2-phenylethanone (PubChem CID 1238015) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-phenothiazin-10-yl-2-phenylethanone.

Molecular Properties

Compound Name1-phenothiazin-10-yl-2-phenylethanone
PubChem CID1238015
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name1-phenothiazin-10-yl-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NOS/c22-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13H,14H2
InChIKeyODRJXAKDUXFICI-UHFFFAOYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-yl-2-phenylethanone?
The IUPAC name of 1-phenothiazin-10-yl-2-phenylethanone (CID 1238015) is 1-phenothiazin-10-yl-2-phenylethanone.
What is the SMILES notation for 1-phenothiazin-10-yl-2-phenylethanone?
The canonical SMILES for 1-phenothiazin-10-yl-2-phenylethanone is O=C(Cc1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-phenothiazin-10-yl-2-phenylethanone?
The InChIKey is ODRJXAKDUXFICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c22-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13H,14H2.
What are the key properties of 1-phenothiazin-10-yl-2-phenylethanone?
1-phenothiazin-10-yl-2-phenylethanone has a molecular weight of 317.41 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-yl-2-phenylethanone is sourced from PubChem (CID 1238015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).