5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine

C15H20BrFN2O2S — CID 123668808

IUPAC5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
SMILESCCCCC1C(N)=NC(C)(c2cc(Br)ccc2F)CS1(=O)=O
InChIInChI=1S/C15H20BrFN2O2S/c1-3-4-5-13-14(18)19-15(2,9-22(13,20)21)11-8-10(16)6-7-12(11)17/h6-8,13H,3-5,9H2,1-2H3,(H2,18,19)
InChIKeyLAJWGXUINJJVQD-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.15
Rot. Bonds4

About 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine

5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine (PubChem CID 123668808) has the molecular formula C15H20BrFN2O2S and a molecular weight of 391.31 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
PubChem CID123668808
Molecular FormulaC15H20BrFN2O2S
Molecular Weight391.31 g/mol
Exact Mass390.04
IUPAC Name5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
SMILESCCCCC1C(N)=NC(C)(c2cc(Br)ccc2F)CS1(=O)=O
InChIInChI=1S/C15H20BrFN2O2S/c1-3-4-5-13-14(18)19-15(2,9-22(13,20)21)11-8-10(16)6-7-12(11)17/h6-8,13H,3-5,9H2,1-2H3,(H2,18,19)
InChIKeyLAJWGXUINJJVQD-UHFFFAOYSA-N
XLogP3.15
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine with MolForge

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Related Compounds

(5R)-5-(5-amino-2-fluorophenyl)-2-ethyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 89095033
(2R,5R)-5-(5-amino-2-fluorophenyl)-2,5-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine
CID 126634136
(3R)-3-(5-bromo-2-fluorophenyl)-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-5-amine
CID 159196026
(3R)-3-(5-bromo-2-fluorophenyl)-3-(fluoromethyl)-6,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 86728107
(3R,6S)-3-(5-amino-2-fluorophenyl)-6-(cyclopropylmethyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 89095196
6-(5-bromo-2-fluorophenyl)-3,3,6-trimethyl-2λ6-thia-5-azabicyclo[2.2.0]hex-4-ene 2,2-dioxide
CID 90033412
(4R)-4-(5-bromo-2-fluorophenyl)-1-(fluoromethyl)-4-methyl-8,8-dioxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine
CID 142379293
2-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-bromo-3H-isoindol-1-one
CID 90137944
(2S,5S)-6-amino-2-(5-bromo-2-fluorophenyl)-2,5-dimethyl-3,4-dihydropyridine-5-carbonitrile
CID 126733689
N-[3-(5-amino-3,6-dimethyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 123782506
[5-(5-bromo-2-fluorophenyl)-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-3-yl]carbamic acid
CID 135126002
2-[3-[(3R)-5-amino-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-bromo-3H-isoindol-1-one
CID 158779430

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine (CID 123668808) is 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine is CCCCC1C(N)=NC(C)(c2cc(Br)ccc2F)CS1(=O)=O.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine?
The InChIKey is LAJWGXUINJJVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2S/c1-3-4-5-13-14(18)19-15(2,9-22(13,20)21)11-8-10(16)6-7-12(11)17/h6-8,13H,3-5,9H2,1-2H3,(H2,18,19).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine?
5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine has a molecular weight of 391.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-2-butyl-5-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-amine is sourced from PubChem (CID 123668808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).