2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

C11H13FN2OS — CID 84629698

IUPAC2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC1CN(C(=O)CN)c2c(F)cccc2S1
InChIInChI=1S/C11H13FN2OS/c1-7-6-14(10(15)5-13)11-8(12)3-2-4-9(11)16-7/h2-4,7H,5-6,13H2,1H3
InChIKeyGIWLFVNNUBQUAT-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.61
Rot. Bonds1

About 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 84629698) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID84629698
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCC1CN(C(=O)CN)c2c(F)cccc2S1
InChIInChI=1S/C11H13FN2OS/c1-7-6-14(10(15)5-13)11-8(12)3-2-4-9(11)16-7/h2-4,7H,5-6,13H2,1H3
InChIKeyGIWLFVNNUBQUAT-UHFFFAOYSA-N
XLogP1.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 84629698) is 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is CC1CN(C(=O)CN)c2c(F)cccc2S1.
What is the InChIKey of 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is GIWLFVNNUBQUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-7-6-14(10(15)5-13)11-8(12)3-2-4-9(11)16-7/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 240.30 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 84629698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).