N,N-diethyl-4H-1,3-benzothiazin-2-amine

C12H16N2S — CID 86065669

IUPACN,N-diethyl-4H-1,3-benzothiazin-2-amine
SMILESCCN(CC)C1=NCc2ccccc2S1
InChIInChI=1S/C12H16N2S/c1-3-14(4-2)12-13-9-10-7-5-6-8-11(10)15-12/h5-8H,3-4,9H2,1-2H3
InChIKeyHRHPXASDGRTZEK-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.99
Rot. Bonds2

About N,N-diethyl-4H-1,3-benzothiazin-2-amine

N,N-diethyl-4H-1,3-benzothiazin-2-amine (PubChem CID 86065669) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N,N-diethyl-4H-1,3-benzothiazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4H-1,3-benzothiazin-2-amine
PubChem CID86065669
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN,N-diethyl-4H-1,3-benzothiazin-2-amine
SMILESCCN(CC)C1=NCc2ccccc2S1
InChIInChI=1S/C12H16N2S/c1-3-14(4-2)12-13-9-10-7-5-6-8-11(10)15-12/h5-8H,3-4,9H2,1-2H3
InChIKeyHRHPXASDGRTZEK-UHFFFAOYSA-N
XLogP2.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4H-1,3-benzothiazin-2-amine?
The IUPAC name of N,N-diethyl-4H-1,3-benzothiazin-2-amine (CID 86065669) is N,N-diethyl-4H-1,3-benzothiazin-2-amine.
What is the SMILES notation for N,N-diethyl-4H-1,3-benzothiazin-2-amine?
The canonical SMILES for N,N-diethyl-4H-1,3-benzothiazin-2-amine is CCN(CC)C1=NCc2ccccc2S1.
What is the InChIKey of N,N-diethyl-4H-1,3-benzothiazin-2-amine?
The InChIKey is HRHPXASDGRTZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-3-14(4-2)12-13-9-10-7-5-6-8-11(10)15-12/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-4H-1,3-benzothiazin-2-amine?
N,N-diethyl-4H-1,3-benzothiazin-2-amine has a molecular weight of 220.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4H-1,3-benzothiazin-2-amine is sourced from PubChem (CID 86065669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).