3,7-diethyl-10-methylphenothiazine

C17H19NS — CID 130181273

IUPAC3,7-diethyl-10-methylphenothiazine
SMILESCCc1ccc2c(c1)Sc1cc(CC)ccc1N2C
InChIInChI=1S/C17H19NS/c1-4-12-6-8-14-16(10-12)19-17-11-13(5-2)7-9-15(17)18(14)3/h6-11H,4-5H2,1-3H3
InChIKeyFLWCAGDKEPQNNQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP5.04
Rot. Bonds2

About 3,7-diethyl-10-methylphenothiazine

3,7-diethyl-10-methylphenothiazine (PubChem CID 130181273) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3,7-diethyl-10-methylphenothiazine.

Molecular Properties

Compound Name3,7-diethyl-10-methylphenothiazine
PubChem CID130181273
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name3,7-diethyl-10-methylphenothiazine
SMILESCCc1ccc2c(c1)Sc1cc(CC)ccc1N2C
InChIInChI=1S/C17H19NS/c1-4-12-6-8-14-16(10-12)19-17-11-13(5-2)7-9-15(17)18(14)3/h6-11H,4-5H2,1-3H3
InChIKeyFLWCAGDKEPQNNQ-UHFFFAOYSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-bis(2-iodoethyl)-10-methylphenothiazine
CID 11027735
2-(10-methylphenothiazin-2-yl)acetaldehyde
CID 87418442
1-tert-butyl-5-ethyl-2,3-dihydroindole
CID 170202737
3-ethyl-6,10-dimethyl-9H-acridine
CID 142095206
N,N,7,10-tetramethylphenothiazin-3-amine
CID 162186059
3-methoxy-10-methylphenothiazine
CID 18761115
(2Z)-2-[[3-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-3-ium-2-yl]methylidene]-3-ethyl-5-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
CID 164946721
5-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 58525500
10-methyl-3-pyridin-4-ylphenothiazine
CID 71011962
6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine
CID 140990864
10-methyl-3-propan-2-yl-7-propan-2-ylsulfanylphenothiazine
CID 167079760
(2Z)-2-[(2E,4E,6E)-7-(6-ethyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-6-methoxy-3-methyl-1,3-benzothiazole
CID 159020566

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-10-methylphenothiazine?
The IUPAC name of 3,7-diethyl-10-methylphenothiazine (CID 130181273) is 3,7-diethyl-10-methylphenothiazine.
What is the SMILES notation for 3,7-diethyl-10-methylphenothiazine?
The canonical SMILES for 3,7-diethyl-10-methylphenothiazine is CCc1ccc2c(c1)Sc1cc(CC)ccc1N2C.
What is the InChIKey of 3,7-diethyl-10-methylphenothiazine?
The InChIKey is FLWCAGDKEPQNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-4-12-6-8-14-16(10-12)19-17-11-13(5-2)7-9-15(17)18(14)3/h6-11H,4-5H2,1-3H3.
What are the key properties of 3,7-diethyl-10-methylphenothiazine?
3,7-diethyl-10-methylphenothiazine has a molecular weight of 269.41 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-10-methylphenothiazine is sourced from PubChem (CID 130181273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).