10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide

C20H17NO2S — CID 59572425

IUPAC10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide
SMILESCOc1ccccc1N1c2ccccc2S(=O)c2cc(C)ccc21
InChIInChI=1S/C20H17NO2S/c1-14-11-12-17-20(13-14)24(22)19-10-6-4-8-16(19)21(17)15-7-3-5-9-18(15)23-2/h3-13H,1-2H3
InChIKeyHTYPLXPUCSIDJP-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.95
Rot. Bonds2

About 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide

10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide (PubChem CID 59572425) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide.

Molecular Properties

Compound Name10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide
PubChem CID59572425
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide
SMILESCOc1ccccc1N1c2ccccc2S(=O)c2cc(C)ccc21
InChIInChI=1S/C20H17NO2S/c1-14-11-12-17-20(13-14)24(22)19-10-6-4-8-16(19)21(17)15-7-3-5-9-18(15)23-2/h3-13H,1-2H3
InChIKeyHTYPLXPUCSIDJP-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide?
The IUPAC name of 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide (CID 59572425) is 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide.
What is the SMILES notation for 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide?
The canonical SMILES for 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide is COc1ccccc1N1c2ccccc2S(=O)c2cc(C)ccc21.
What is the InChIKey of 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide?
The InChIKey is HTYPLXPUCSIDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c1-14-11-12-17-20(13-14)24(22)19-10-6-4-8-16(19)21(17)15-7-3-5-9-18(15)23-2/h3-13H,1-2H3.
What are the key properties of 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide?
10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide has a molecular weight of 335.43 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide is sourced from PubChem (CID 59572425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).