N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine

C18H15F3N2S — CID 135015611

IUPACN,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine
SMILESCN(C)C1=Nc2ccccc2C(=Cc2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C18H15F3N2S/c1-23(2)17-22-15-9-4-3-8-14(15)16(24-17)11-12-6-5-7-13(10-12)18(19,20)21/h3-11H,1-2H3
InChIKeySARFNSUTTRLKPZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP5.50
Rot. Bonds1

About N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine

N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine (PubChem CID 135015611) has the molecular formula C18H15F3N2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine
PubChem CID135015611
Molecular FormulaC18H15F3N2S
Molecular Weight348.39 g/mol
Exact Mass348.09
IUPAC NameN,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine
SMILESCN(C)C1=Nc2ccccc2C(=Cc2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C18H15F3N2S/c1-23(2)17-22-15-9-4-3-8-14(15)16(24-17)11-12-6-5-7-13(10-12)18(19,20)21/h3-11H,1-2H3
InChIKeySARFNSUTTRLKPZ-UHFFFAOYSA-N
XLogP5.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.39
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine?
The IUPAC name of N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine (CID 135015611) is N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine is CN(C)C1=Nc2ccccc2C(=Cc2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine?
The InChIKey is SARFNSUTTRLKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2S/c1-23(2)17-22-15-9-4-3-8-14(15)16(24-17)11-12-6-5-7-13(10-12)18(19,20)21/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine?
N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine has a molecular weight of 348.39 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-3,1-benzothiazin-2-amine is sourced from PubChem (CID 135015611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).