2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline

C22H22N2S — CID 174859269

IUPAC2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline
SMILESCC1=C(C)Sc2ccccc2N1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C10H11NS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-8(2)12-10-6-4-3-5-9(10)11-7/h1-10,13H;3-6,11H,1-2H3
InChIKeyAZJUMASHNOGQEG-UHFFFAOYSA-N
MW346.50 g/mol
LogP6.89
Rot. Bonds2

About 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline

2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline (PubChem CID 174859269) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline.

Molecular Properties

Compound Name2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline
PubChem CID174859269
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC Name2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline
SMILESCC1=C(C)Sc2ccccc2N1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C10H11NS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-8(2)12-10-6-4-3-5-9(10)11-7/h1-10,13H;3-6,11H,1-2H3
InChIKeyAZJUMASHNOGQEG-UHFFFAOYSA-N
XLogP6.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline?
The IUPAC name of 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline (CID 174859269) is 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline.
What is the SMILES notation for 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline?
The canonical SMILES for 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline is CC1=C(C)Sc2ccccc2N1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline?
The InChIKey is AZJUMASHNOGQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C10H11NS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-8(2)12-10-6-4-3-5-9(10)11-7/h1-10,13H;3-6,11H,1-2H3.
What are the key properties of 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline?
2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline has a molecular weight of 346.50 g/mol, XLogP of 6.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4H-1,4-benzothiazine;N-phenylaniline is sourced from PubChem (CID 174859269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).