2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine

C9H10N2OS — CID 58429259

IUPAC2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine
SMILESC=S1(=O)Cc2ccccc2C(N)=N1
InChIInChI=1S/C9H10N2OS/c1-13(12)6-7-4-2-3-5-8(7)9(10)11-13/h2-5H,1,6H2,(H2,10,11,12)
InChIKeyAMZVELGZESUFCC-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.54
Rot. Bonds

About 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine

2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine (PubChem CID 58429259) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine.

Molecular Properties

Compound Name2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine
PubChem CID58429259
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine
SMILESC=S1(=O)Cc2ccccc2C(N)=N1
InChIInChI=1S/C9H10N2OS/c1-13(12)6-7-4-2-3-5-8(7)9(10)11-13/h2-5H,1,6H2,(H2,10,11,12)
InChIKeyAMZVELGZESUFCC-UHFFFAOYSA-N
XLogP0.54
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429236
7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine
CID 58429575
2,2-dioxo-5-prop-1-en-2-yl-1H-2λ6,3-benzothiazin-4-amine
CID 58429386
5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429269
3H-isoindol-2-ium-1-amine
CID 3358788
ethene;9H-fluorene
CID 159544077
5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429326
2,3-dihydroinden-1-one;1,2-thiazole 1,1-dioxide
CID 159067911
5-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22337735
9H-fluorene;oxophosphane
CID 174601741
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
9H-fluorene;oxozirconium
CID 174355249

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine?
The IUPAC name of 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine (CID 58429259) is 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine.
What is the SMILES notation for 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine?
The canonical SMILES for 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine is C=S1(=O)Cc2ccccc2C(N)=N1.
What is the InChIKey of 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine?
The InChIKey is AMZVELGZESUFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-13(12)6-7-4-2-3-5-8(7)9(10)11-13/h2-5H,1,6H2,(H2,10,11,12).
What are the key properties of 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine?
2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine has a molecular weight of 194.26 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine is sourced from PubChem (CID 58429259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).