(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone

C13H12N4OS — CID 104669192

IUPAC(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone
SMILESNc1ccc2c(c1)N(C(=O)c1ccnnc1)CCS2
InChIInChI=1S/C13H12N4OS/c14-10-1-2-12-11(7-10)17(5-6-19-12)13(18)9-3-4-15-16-8-9/h1-4,7-8H,5-6,14H2
InChIKeyBCIUMWALIQXEKP-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.81
Rot. Bonds1

About (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone (PubChem CID 104669192) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone
PubChem CID104669192
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone
SMILESNc1ccc2c(c1)N(C(=O)c1ccnnc1)CCS2
InChIInChI=1S/C13H12N4OS/c14-10-1-2-12-11(7-10)17(5-6-19-12)13(18)9-3-4-15-16-8-9/h1-4,7-8H,5-6,14H2
InChIKeyBCIUMWALIQXEKP-UHFFFAOYSA-N
XLogP1.81
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-bromothiophen-3-yl)methanone
CID 107959412
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104638050
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thiophen-2-ylmethanone
CID 54905303
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82810516
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(2-bromo-5-fluorophenyl)methanone
CID 61038023
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 80721624
tert-butyl 6-amino-2,3-dihydro-1,4-benzothiazine-4-carboxylate
CID 61038495
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66157319
1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-2-propylpentan-1-one
CID 82985269
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone
CID 55120091
6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 61037785
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107174857

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone (CID 104669192) is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone is Nc1ccc2c(c1)N(C(=O)c1ccnnc1)CCS2.
What is the InChIKey of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone?
The InChIKey is BCIUMWALIQXEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c14-10-1-2-12-11(7-10)17(5-6-19-12)13(18)9-3-4-15-16-8-9/h1-4,7-8H,5-6,14H2.
What are the key properties of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone?
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone has a molecular weight of 272.33 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 104669192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).