3-amino-2-imino-1,3-benzothiazin-4-one

C8H7N3OS — CID 14199095

IUPAC3-amino-2-imino-1,3-benzothiazin-4-one
SMILES[H]/N=c1\sc2ccccc2c(=O)n1N
InChIInChI=1S/C8H7N3OS/c9-8-11(10)7(12)5-3-1-2-4-6(5)13-8/h1-4,9H,10H2/b9-8-
InChIKeyQMQJHKCGAAKGIB-HJWRWDBZSA-N
MW193.23 g/mol
LogP0.26
Rot. Bonds

About 3-amino-2-imino-1,3-benzothiazin-4-one

3-amino-2-imino-1,3-benzothiazin-4-one (PubChem CID 14199095) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-amino-2-imino-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name3-amino-2-imino-1,3-benzothiazin-4-one
PubChem CID14199095
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name3-amino-2-imino-1,3-benzothiazin-4-one
SMILES[H]/N=c1\sc2ccccc2c(=O)n1N
InChIInChI=1S/C8H7N3OS/c9-8-11(10)7(12)5-3-1-2-4-6(5)13-8/h1-4,9H,10H2/b9-8-
InChIKeyQMQJHKCGAAKGIB-HJWRWDBZSA-N
XLogP0.26
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-imino-1,3-benzothiazin-4-one?
The IUPAC name of 3-amino-2-imino-1,3-benzothiazin-4-one (CID 14199095) is 3-amino-2-imino-1,3-benzothiazin-4-one.
What is the SMILES notation for 3-amino-2-imino-1,3-benzothiazin-4-one?
The canonical SMILES for 3-amino-2-imino-1,3-benzothiazin-4-one is [H]/N=c1\sc2ccccc2c(=O)n1N.
What is the InChIKey of 3-amino-2-imino-1,3-benzothiazin-4-one?
The InChIKey is QMQJHKCGAAKGIB-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-8-11(10)7(12)5-3-1-2-4-6(5)13-8/h1-4,9H,10H2/b9-8-.
What are the key properties of 3-amino-2-imino-1,3-benzothiazin-4-one?
3-amino-2-imino-1,3-benzothiazin-4-one has a molecular weight of 193.23 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-imino-1,3-benzothiazin-4-one is sourced from PubChem (CID 14199095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).