1-(diethylamino)phenothiazine-10-carboxylic acid

C17H18N2O2S — CID 137365111

IUPAC1-(diethylamino)phenothiazine-10-carboxylic acid
SMILESCCN(CC)c1cccc2c1N(C(=O)O)c1ccccc1S2
InChIInChI=1S/C17H18N2O2S/c1-3-18(4-2)13-9-7-11-15-16(13)19(17(20)21)12-8-5-6-10-14(12)22-15/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyTWTGIJRGUJKJBC-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.81
Rot. Bonds3

About 1-(diethylamino)phenothiazine-10-carboxylic acid

1-(diethylamino)phenothiazine-10-carboxylic acid (PubChem CID 137365111) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(diethylamino)phenothiazine-10-carboxylic acid.

Molecular Properties

Compound Name1-(diethylamino)phenothiazine-10-carboxylic acid
PubChem CID137365111
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-(diethylamino)phenothiazine-10-carboxylic acid
SMILESCCN(CC)c1cccc2c1N(C(=O)O)c1ccccc1S2
InChIInChI=1S/C17H18N2O2S/c1-3-18(4-2)13-9-7-11-15-16(13)19(17(20)21)12-8-5-6-10-14(12)22-15/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKeyTWTGIJRGUJKJBC-UHFFFAOYSA-N
XLogP4.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylphenothiazine-10-carboxylic acid;hydrochloride
CID 174463458
[1,2-bis(diethylamino)phenothiazin-10-yl]-phenylmethanone
CID 174694419
1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide
CID 170311642
1-pyrrolidin-1-ylphenothiazine-10-carboxylic acid
CID 137367001
3-propanoylphenothiazine-10-carboxylic acid
CID 154096158
3-(diethylamino)-2-methyl-1-phenothiazin-10-ylbutan-1-one
CID 3029960
2-[2-(diethylamino)benzoyl]benzoic acid
CID 151183453
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
(E)-1-phenothiazin-10-yldec-3-en-1-one
CID 71767310
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
CID 2972347
2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane
CID 158923820
3-bromo-1-phenothiazin-10-ylpropan-1-one
CID 3487991

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)phenothiazine-10-carboxylic acid?
The IUPAC name of 1-(diethylamino)phenothiazine-10-carboxylic acid (CID 137365111) is 1-(diethylamino)phenothiazine-10-carboxylic acid.
What is the SMILES notation for 1-(diethylamino)phenothiazine-10-carboxylic acid?
The canonical SMILES for 1-(diethylamino)phenothiazine-10-carboxylic acid is CCN(CC)c1cccc2c1N(C(=O)O)c1ccccc1S2.
What is the InChIKey of 1-(diethylamino)phenothiazine-10-carboxylic acid?
The InChIKey is TWTGIJRGUJKJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-3-18(4-2)13-9-7-11-15-16(13)19(17(20)21)12-8-5-6-10-14(12)22-15/h5-11H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 1-(diethylamino)phenothiazine-10-carboxylic acid?
1-(diethylamino)phenothiazine-10-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)phenothiazine-10-carboxylic acid is sourced from PubChem (CID 137365111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).