2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone

C15H12FNOS — CID 47005084

IUPAC2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCSc2ccccc21
InChIInChI=1S/C15H12FNOS/c16-12-7-5-11(6-8-12)15(18)17-9-10-19-14-4-2-1-3-13(14)17/h1-8H,9-10H2
InChIKeyPQXKCJWIRCZNRW-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.58
Rot. Bonds1

About 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone

2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone (PubChem CID 47005084) has the molecular formula C15H12FNOS and a molecular weight of 273.33 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
PubChem CID47005084
Molecular FormulaC15H12FNOS
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCSc2ccccc21
InChIInChI=1S/C15H12FNOS/c16-12-7-5-11(6-8-12)15(18)17-9-10-19-14-4-2-1-3-13(14)17/h1-8H,9-10H2
InChIKeyPQXKCJWIRCZNRW-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 78780639
2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 51272537
N-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]benzamide
CID 55555042
2,3-dihydro-1,4-benzothiazin-4-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998704
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
2,3-dihydro-1,4-benzothiazin-4-yl-(3,4-dimethoxyphenyl)methanone
CID 51155293
(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103221344
2,3-dihydro-1,4-benzothiazin-4-yl-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 56782767
2,3-dihydro-1,4-benzothiazin-4-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323424
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 107120654

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone (CID 47005084) is 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone?
The InChIKey is PQXKCJWIRCZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS/c16-12-7-5-11(6-8-12)15(18)17-9-10-19-14-4-2-1-3-13(14)17/h1-8H,9-10H2.
What are the key properties of 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone?
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone has a molecular weight of 273.33 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone is sourced from PubChem (CID 47005084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).