1-imino-2H-1λ4,2-benzothiazine

C8H8N2S — CID 140936957

IUPAC1-imino-2H-1λ4,2-benzothiazine
SMILES[H]/N=S1\NC=Cc2ccccc21
InChIInChI=1S/C8H8N2S/c9-11-8-4-2-1-3-7(8)5-6-10-11/h1-6H,(H2,9,10)
InChIKeyXGGGOQCDGKWJQU-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.92
Rot. Bonds

About 1-imino-2H-1λ4,2-benzothiazine

1-imino-2H-1λ4,2-benzothiazine (PubChem CID 140936957) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-imino-2H-1λ4,2-benzothiazine.

Molecular Properties

Compound Name1-imino-2H-1λ4,2-benzothiazine
PubChem CID140936957
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1-imino-2H-1λ4,2-benzothiazine
SMILES[H]/N=S1\NC=Cc2ccccc21
InChIInChI=1S/C8H8N2S/c9-11-8-4-2-1-3-7(8)5-6-10-11/h1-6H,(H2,9,10)
InChIKeyXGGGOQCDGKWJQU-UHFFFAOYSA-N
XLogP1.92
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Fluorobenzothiazinone
CID 129815634
Benzothiazocine
CID 21887956
Benzodithiazepine
CID 22614737
Benzothiazinone
CID 54075749
Benzothiazinethione
CID 67293599
6-fluoro-1-methylidene-2H-1lambda4,2-benzothiazine
CID 168997041
8-Cyano benzothiazinone
CID 155294642
2-Aminobenzothiazinone
CID 175639845
Phenyl(1,2-thiazol-5-yl)methanamine
CID 59689152
7-pentyl-2H-1lambda4,2-benzothiazine 1-oxide
CID 69460133
6-pentyl-2H-1lambda4,2-benzothiazine 1-oxide
CID 69460967
1-oxo-N-pentyl-1lambda4,2-benzothiazin-2-amine
CID 70067217

Frequently Asked Questions

What is the IUPAC name of 1-imino-2H-1λ4,2-benzothiazine?
The IUPAC name of 1-imino-2H-1λ4,2-benzothiazine (CID 140936957) is 1-imino-2H-1λ4,2-benzothiazine.
What is the SMILES notation for 1-imino-2H-1λ4,2-benzothiazine?
The canonical SMILES for 1-imino-2H-1λ4,2-benzothiazine is [H]/N=S1\NC=Cc2ccccc21.
What is the InChIKey of 1-imino-2H-1λ4,2-benzothiazine?
The InChIKey is XGGGOQCDGKWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c9-11-8-4-2-1-3-7(8)5-6-10-11/h1-6H,(H2,9,10).
What are the key properties of 1-imino-2H-1λ4,2-benzothiazine?
1-imino-2H-1λ4,2-benzothiazine has a molecular weight of 164.23 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-2H-1λ4,2-benzothiazine is sourced from PubChem (CID 140936957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).