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

C15H11F2NOS — CID 78780639

IUPAC(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCSc2ccccc21
InChIInChI=1S/C15H11F2NOS/c16-10-4-3-5-11(17)14(10)15(19)18-8-9-20-13-7-2-1-6-12(13)18/h1-7H,8-9H2
InChIKeyBCXLQBGKISZFBE-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.72
Rot. Bonds1

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

(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 78780639) has the molecular formula C15H11F2NOS and a molecular weight of 291.32 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID78780639
Molecular FormulaC15H11F2NOS
Molecular Weight291.32 g/mol
Exact Mass291.05
IUPAC Name(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCSc2ccccc21
InChIInChI=1S/C15H11F2NOS/c16-10-4-3-5-11(17)14(10)15(19)18-8-9-20-13-7-2-1-6-12(13)18/h1-7H,8-9H2
InChIKeyBCXLQBGKISZFBE-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 78780639) is (2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1c(F)cccc1F)N1CCSc2ccccc21.
What is the InChIKey of (2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is BCXLQBGKISZFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NOS/c16-10-4-3-5-11(17)14(10)15(19)18-8-9-20-13-7-2-1-6-12(13)18/h1-7H,8-9H2.
What are the key properties of (2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 291.32 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 78780639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).