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

C14H11FN2OS — CID 113323424

IUPAC2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)N1CCSc2ccccc21
InChIInChI=1S/C14H11FN2OS/c15-13-7-3-4-10(16-13)14(18)17-8-9-19-12-6-2-1-5-11(12)17/h1-7H,8-9H2
InChIKeyMXIHJOARUXQGJO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.97
Rot. Bonds1

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

2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone (PubChem CID 113323424) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone
PubChem CID113323424
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)N1CCSc2ccccc21
InChIInChI=1S/C14H11FN2OS/c15-13-7-3-4-10(16-13)14(18)17-8-9-19-12-6-2-1-5-11(12)17/h1-7H,8-9H2
InChIKeyMXIHJOARUXQGJO-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 78780639
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone
CID 62509753
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 79758454
2,3-dihydro-1,4-benzothiazin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 51065189
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 107120654
1-(6-fluoropyridine-2-carbonyl)imidazolidin-2-one
CID 115497588
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 30933382

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone (CID 113323424) is 2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone is O=C(c1cccc(F)n1)N1CCSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone?
The InChIKey is MXIHJOARUXQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-13-7-3-4-10(16-13)14(18)17-8-9-19-12-6-2-1-5-11(12)17/h1-7H,8-9H2.
What are the key properties of 2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone?
2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone has a molecular weight of 274.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 113323424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).