2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone

C18H16BrFN2OS — CID 4751711

IUPAC2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(C1=NCCCS1)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H16BrFN2OS/c19-14-4-8-16(9-5-14)22(18-21-10-1-11-24-18)12-17(23)13-2-6-15(20)7-3-13/h2-9H,1,10-12H2
InChIKeyRAMCOWSFOHDJMR-UHFFFAOYSA-N
MW407.31 g/mol
LogP4.77
Rot. Bonds4

About 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone

2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone (PubChem CID 4751711) has the molecular formula C18H16BrFN2OS and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone
PubChem CID4751711
Molecular FormulaC18H16BrFN2OS
Molecular Weight407.31 g/mol
Exact Mass406.02
IUPAC Name2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN(C1=NCCCS1)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H16BrFN2OS/c19-14-4-8-16(9-5-14)22(18-21-10-1-11-24-18)12-17(23)13-2-6-15(20)7-3-13/h2-9H,1,10-12H2
InChIKeyRAMCOWSFOHDJMR-UHFFFAOYSA-N
XLogP4.77
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone (CID 4751711) is 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone is O=C(CN(C1=NCCCS1)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone?
The InChIKey is RAMCOWSFOHDJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2OS/c19-14-4-8-16(9-5-14)22(18-21-10-1-11-24-18)12-17(23)13-2-6-15(20)7-3-13/h2-9H,1,10-12H2.
What are the key properties of 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone?
2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone has a molecular weight of 407.31 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 4751711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).