(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone

C14H12FN3OS — CID 104638050

IUPAC(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1ccc(F)cn1)CCS2
InChIInChI=1S/C14H12FN3OS/c15-9-1-3-11(17-8-9)14(19)18-5-6-20-13-4-2-10(16)7-12(13)18/h1-4,7-8H,5-6,16H2
InChIKeyOBXMAEDMCSZSHL-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.56
Rot. Bonds1

About (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 104638050) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID104638050
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1ccc(F)cn1)CCS2
InChIInChI=1S/C14H12FN3OS/c15-9-1-3-11(17-8-9)14(19)18-5-6-20-13-4-2-10(16)7-12(13)18/h1-4,7-8H,5-6,16H2
InChIKeyOBXMAEDMCSZSHL-UHFFFAOYSA-N
XLogP2.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-pyridazin-4-ylmethanone
CID 104669192
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66157319
(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)-thieno[3,2-b]thiophen-5-ylmethanone
CID 80721624
6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 61037785
2-(6-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoacetic acid
CID 84629970
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-2,3-dihydro-1,4-benzothiazin-4-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107174857
1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylphenyl)ethanone
CID 61038021
1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-3-cyclopentylpropan-1-one
CID 61036887
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone (CID 104638050) is (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone is Nc1ccc2c(c1)N(C(=O)c1ccc(F)cn1)CCS2.
What is the InChIKey of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is OBXMAEDMCSZSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-9-1-3-11(17-8-9)14(19)18-5-6-20-13-4-2-10(16)7-12(13)18/h1-4,7-8H,5-6,16H2.
What are the key properties of (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone?
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 289.34 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 104638050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).