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

C12H16N2S — CID 135056712

IUPACN,N-diethyl-2H-1,3-benzothiazin-2-amine
SMILESCCN(CC)C1N=Cc2ccccc2S1
InChIInChI=1S/C12H16N2S/c1-3-14(4-2)12-13-9-10-7-5-6-8-11(10)15-12/h5-9,12H,3-4H2,1-2H3
InChIKeyJTELMJPTDAFSLR-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.84
Rot. Bonds3

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

N,N-diethyl-2H-1,3-benzothiazin-2-amine (PubChem CID 135056712) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N,N-diethyl-2H-1,3-benzothiazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-2H-1,3-benzothiazin-2-amine
PubChem CID135056712
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN,N-diethyl-2H-1,3-benzothiazin-2-amine
SMILESCCN(CC)C1N=Cc2ccccc2S1
InChIInChI=1S/C12H16N2S/c1-3-14(4-2)12-13-9-10-7-5-6-8-11(10)15-12/h5-9,12H,3-4H2,1-2H3
InChIKeyJTELMJPTDAFSLR-UHFFFAOYSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,3-Benzothiazine
CID 18989167
N,N'-bis((2-methylthio)phenylmethylene)-1,2-ethanediamine
CID 67984997
5-fluoro-2H-1,3-benzothiazine
CID 176155595
7-fluoro-2H-1,3-benzothiazine
CID 176155598
6-fluoro-2H-1,3-benzothiazine
CID 176155602
4-(2H-1,3-benzothiazin-2-yl)morpholine
CID 134999387
N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine
CID 135000976
2-pyrrolidin-1-yl-2H-1,3-benzothiazine
CID 135056585
3-cyclohexyl-2H-1,3-benzothiazin-3-ium
CID 20783597
3-(cyclohexylmethyl)-2H-1,3-benzothiazin-3-ium
CID 20783617
3-(2-methylcyclohexyl)-2H-1,3-benzothiazin-3-ium
CID 20783854
3-Methyl-1,3-benzothiazin-3-ium-2-one
CID 20783899

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2H-1,3-benzothiazin-2-amine?
The IUPAC name of N,N-diethyl-2H-1,3-benzothiazin-2-amine (CID 135056712) is N,N-diethyl-2H-1,3-benzothiazin-2-amine.
What is the SMILES notation for N,N-diethyl-2H-1,3-benzothiazin-2-amine?
The canonical SMILES for N,N-diethyl-2H-1,3-benzothiazin-2-amine is CCN(CC)C1N=Cc2ccccc2S1.
What is the InChIKey of N,N-diethyl-2H-1,3-benzothiazin-2-amine?
The InChIKey is JTELMJPTDAFSLR-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/h5-9,12H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2H-1,3-benzothiazin-2-amine?
N,N-diethyl-2H-1,3-benzothiazin-2-amine has a molecular weight of 220.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2H-1,3-benzothiazin-2-amine is sourced from PubChem (CID 135056712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).