N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine

C20H20N2S — CID 10758070

IUPACN,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine
SMILESCN(C)Cc1ccc2n1-c1ccccc1SC2c1ccccc1
InChIInChI=1S/C20H20N2S/c1-21(2)14-16-12-13-18-20(15-8-4-3-5-9-15)23-19-11-7-6-10-17(19)22(16)18/h3-13,20H,14H2,1-2H3
InChIKeyFDBYIIBXPLWFTK-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.73
Rot. Bonds3

About N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine

N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine (PubChem CID 10758070) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine
PubChem CID10758070
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC NameN,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine
SMILESCN(C)Cc1ccc2n1-c1ccccc1SC2c1ccccc1
InChIInChI=1S/C20H20N2S/c1-21(2)14-16-12-13-18-20(15-8-4-3-5-9-15)23-19-11-7-6-10-17(19)22(16)18/h3-13,20H,14H2,1-2H3
InChIKeyFDBYIIBXPLWFTK-UHFFFAOYSA-N
XLogP4.73
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine (CID 10758070) is N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine is CN(C)Cc1ccc2n1-c1ccccc1SC2c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine?
The InChIKey is FDBYIIBXPLWFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2S/c1-21(2)14-16-12-13-18-20(15-8-4-3-5-9-15)23-19-11-7-6-10-17(19)22(16)18/h3-13,20H,14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine?
N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine has a molecular weight of 320.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-phenyl-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine is sourced from PubChem (CID 10758070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).