(2-methylphenyl)-phenothiazin-10-ylmethanone

C20H15NOS — CID 3473839

IUPAC(2-methylphenyl)-phenothiazin-10-ylmethanone
SMILESCc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NOS/c1-14-8-2-3-9-15(14)20(22)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h2-13H,1H3
InChIKeyPYIIIOAOKBCILO-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.44
Rot. Bonds1

About (2-methylphenyl)-phenothiazin-10-ylmethanone

(2-methylphenyl)-phenothiazin-10-ylmethanone (PubChem CID 3473839) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is (2-methylphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(2-methylphenyl)-phenothiazin-10-ylmethanone
PubChem CID3473839
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name(2-methylphenyl)-phenothiazin-10-ylmethanone
SMILESCc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NOS/c1-14-8-2-3-9-15(14)20(22)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h2-13H,1H3
InChIKeyPYIIIOAOKBCILO-UHFFFAOYSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-
CID 94975
10-Benzoyl-10H-phenothiazine
CID 262319
(3-bromophenyl)(10H-phenothiazin-10-yl)methanone
CID 607810
1-(10H-Phenothiazin-10-yl)-2-phenylethan-1-one
CID 1238015
(4-nitrophenyl)(10H-phenothiazin-10-yl)methanone
CID 3112604
Stk238931
CID 926198
1-(10-Methyl-10H-phenothiazin-2-yl)ethan-1-one
CID 91401
1-(10H-phenothiazin-10-yl)-2-phenylpropan-1-one
CID 44435193
1-(10H-phenothiazin-10-yl)-2-phenylbutan-1-one
CID 44435196
1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one
CID 44435200
naphthalen-1-yl(10H-phenothiazin-10-yl)methanone
CID 44435217
naphthalen-2-yl(10H-phenothiazin-10-yl)methanone
CID 44435218

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (2-methylphenyl)-phenothiazin-10-ylmethanone (CID 3473839) is (2-methylphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (2-methylphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (2-methylphenyl)-phenothiazin-10-ylmethanone is Cc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-methylphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is PYIIIOAOKBCILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NOS/c1-14-8-2-3-9-15(14)20(22)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h2-13H,1H3.
What are the key properties of (2-methylphenyl)-phenothiazin-10-ylmethanone?
(2-methylphenyl)-phenothiazin-10-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 3473839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).