3-methoxy-10-methylphenothiazine

C14H13NOS — CID 18761115

IUPAC3-methoxy-10-methylphenothiazine
SMILESCOc1ccc2c(c1)Sc1ccccc1N2C
InChIInChI=1S/C14H13NOS/c1-15-11-5-3-4-6-13(11)17-14-9-10(16-2)7-8-12(14)15/h3-9H,1-2H3
InChIKeyCRTUDPXILGTHBY-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.93
Rot. Bonds1

About 3-methoxy-10-methylphenothiazine

3-methoxy-10-methylphenothiazine (PubChem CID 18761115) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-methoxy-10-methylphenothiazine.

Molecular Properties

Compound Name3-methoxy-10-methylphenothiazine
PubChem CID18761115
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name3-methoxy-10-methylphenothiazine
SMILESCOc1ccc2c(c1)Sc1ccccc1N2C
InChIInChI=1S/C14H13NOS/c1-15-11-5-3-4-6-13(11)17-14-9-10(16-2)7-8-12(14)15/h3-9H,1-2H3
InChIKeyCRTUDPXILGTHBY-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-N,10-dimethylphenothiazin-3-amine
CID 70686558
2-imidazol-1-yl-1-(3-methoxyphenothiazin-10-yl)ethanone
CID 20569761
2-methoxy-10-tritylphenothiazine
CID 139765572
10-methyl-3-pyridin-4-ylphenothiazine
CID 71011962
1-[3-(3-methoxyphenothiazin-10-yl)propyl]-3-phenylthiourea
CID 71331106
2,8-dimethoxythianthrene
CID 71400378
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 18847
N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine
CID 15129039
2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine
CID 58293895
3-methoxy-10-methyl-7-[(1S,5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl]phenothiazine
CID 170982091
2-(10-methylphenothiazin-3-yl)isoindole-1,3-dione
CID 15561068
3,7-dimethoxy-10-[2-(2-methoxyethoxy)ethyl]phenothiazine
CID 134281928

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-10-methylphenothiazine?
The IUPAC name of 3-methoxy-10-methylphenothiazine (CID 18761115) is 3-methoxy-10-methylphenothiazine.
What is the SMILES notation for 3-methoxy-10-methylphenothiazine?
The canonical SMILES for 3-methoxy-10-methylphenothiazine is COc1ccc2c(c1)Sc1ccccc1N2C.
What is the InChIKey of 3-methoxy-10-methylphenothiazine?
The InChIKey is CRTUDPXILGTHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-15-11-5-3-4-6-13(11)17-14-9-10(16-2)7-8-12(14)15/h3-9H,1-2H3.
What are the key properties of 3-methoxy-10-methylphenothiazine?
3-methoxy-10-methylphenothiazine has a molecular weight of 243.33 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-10-methylphenothiazine is sourced from PubChem (CID 18761115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).