2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone

C18H19FN2OS — CID 15341963

IUPAC2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
SMILESCN(C)CC(=O)N1CC(c2ccc(F)cc2)Sc2ccccc21
InChIInChI=1S/C18H19FN2OS/c1-20(2)12-18(22)21-11-17(13-7-9-14(19)10-8-13)23-16-6-4-3-5-15(16)21/h3-10,17H,11-12H2,1-2H3
InChIKeyIYBROWPIQVIIRE-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.57
Rot. Bonds3

About 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone

2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone (PubChem CID 15341963) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
PubChem CID15341963
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
SMILESCN(C)CC(=O)N1CC(c2ccc(F)cc2)Sc2ccccc21
InChIInChI=1S/C18H19FN2OS/c1-20(2)12-18(22)21-11-17(13-7-9-14(19)10-8-13)23-16-6-4-3-5-15(16)21/h3-10,17H,11-12H2,1-2H3
InChIKeyIYBROWPIQVIIRE-UHFFFAOYSA-N
XLogP3.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone (CID 15341963) is 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone is CN(C)CC(=O)N1CC(c2ccc(F)cc2)Sc2ccccc21.
What is the InChIKey of 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone?
The InChIKey is IYBROWPIQVIIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-20(2)12-18(22)21-11-17(13-7-9-14(19)10-8-13)23-16-6-4-3-5-15(16)21/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone?
2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[2-(4-fluorophenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone is sourced from PubChem (CID 15341963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).