phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H20N4OS — CID 660379

IUPACphenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H20N4OS/c27-22(25-15-13-24(14-16-25)21-11-5-6-12-23-21)26-17-7-1-3-9-19(17)28-20-10-4-2-8-18(20)26/h1-12H,13-16H2
InChIKeyXPKGPGSOCOZATR-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.63
Rot. Bonds1

About phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 660379) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namephenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID660379
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Namephenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H20N4OS/c27-22(25-15-13-24(14-16-25)21-11-5-6-12-23-21)26-17-7-1-3-9-19(17)28-20-10-4-2-8-18(20)26/h1-12H,13-16H2
InChIKeyXPKGPGSOCOZATR-UHFFFAOYSA-N
XLogP4.63
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 660379) is phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccn2)CC1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XPKGPGSOCOZATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c27-22(25-15-13-24(14-16-25)21-11-5-6-12-23-21)26-17-7-1-3-9-19(17)28-20-10-4-2-8-18(20)26/h1-12H,13-16H2.
What are the key properties of phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 388.50 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenothiazin-10-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 660379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).