10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid

C13H10N2O2S — CID 110179869

IUPAC10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid
SMILESCN1c2ccc(C(=O)O)cc2Sc2cccnc21
InChIInChI=1S/C13H10N2O2S/c1-15-9-5-4-8(13(16)17)7-11(9)18-10-3-2-6-14-12(10)15/h2-7H,1H3,(H,16,17)
InChIKeyIRXBJKKCBUKPMU-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.01
Rot. Bonds1

About 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid

10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid (PubChem CID 110179869) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid.

Molecular Properties

Compound Name10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid
PubChem CID110179869
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid
SMILESCN1c2ccc(C(=O)O)cc2Sc2cccnc21
InChIInChI=1S/C13H10N2O2S/c1-15-9-5-4-8(13(16)17)7-11(9)18-10-3-2-6-14-12(10)15/h2-7H,1H3,(H,16,17)
InChIKeyIRXBJKKCBUKPMU-UHFFFAOYSA-N
XLogP3.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid
CID 59105026
5-methyl-6-oxopyrido[2,3-b][1,4]benzothiazepine-9-carboxylic acid
CID 53212083
1-[10-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazin-7-yl]ethanone;hydrochloride
CID 110174629
10-methyl-5H-pyrazino[2,3-b]quinoxaline-7-carboxylic acid
CID 23564977
(7-amino-10-methylphenothiazin-3-yl)-phenylmethanone
CID 44968124
benzoic acid;N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
CID 175196790
4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid
CID 82513914
thianthrene-2,7-dicarboxylic acid;hydrochloride
CID 175394841
6-methyl-N-(4-methylphenyl)-5-oxopyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173341
N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
CID 53182583
ethane;quinoline-6-carboxylic acid
CID 91364452
10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazine-8-carboxylic acid
CID 11289238

Frequently Asked Questions

What is the IUPAC name of 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid?
The IUPAC name of 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid (CID 110179869) is 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid.
What is the SMILES notation for 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid?
The canonical SMILES for 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid is CN1c2ccc(C(=O)O)cc2Sc2cccnc21.
What is the InChIKey of 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid?
The InChIKey is IRXBJKKCBUKPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-15-9-5-4-8(13(16)17)7-11(9)18-10-3-2-6-14-12(10)15/h2-7H,1H3,(H,16,17).
What are the key properties of 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid?
10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid is sourced from PubChem (CID 110179869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).