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

C11H12BrFN2S — CID 67025525

IUPAC(6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(Br)ccc2F)CCN=C(N)S1
InChIInChI=1S/C11H12BrFN2S/c1-11(4-5-15-10(14)16-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyKGFQQXQLEQDFTC-NSHDSACASA-N
MW303.20 g/mol
LogP3.26
Rot. Bonds1

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

(6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine (PubChem CID 67025525) has the molecular formula C11H12BrFN2S and a molecular weight of 303.20 g/mol. Its IUPAC name is (6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
PubChem CID67025525
Molecular FormulaC11H12BrFN2S
Molecular Weight303.20 g/mol
Exact Mass301.99
IUPAC Name(6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(Br)ccc2F)CCN=C(N)S1
InChIInChI=1S/C11H12BrFN2S/c1-11(4-5-15-10(14)16-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyKGFQQXQLEQDFTC-NSHDSACASA-N
XLogP3.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-7'-bromo-4'-fluoro-2'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,9'-xanthene]-2-amine
CID 89461803
(2S,5S)-6-amino-2-(5-bromo-2-fluorophenyl)-2,5-dimethyl-3,4-dihydropyridine-5-carbonitrile
CID 126733689
5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
CID 82973719
(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 90156588
5-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-2-amine
CID 82972868
(6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine
CID 67025352
(3R)-3-(5-bromo-2-fluorophenyl)-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-5-amine
CID 159196026
5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
CID 82973144
methyl (4S,5S,6S)-2-amino-4-(5-bromo-2-fluorophenyl)-4-(fluoromethyl)-5,6-dimethyl-5H-1,3-thiazine-6-carboxylate
CID 118884919
(3R)-3-(5-bromo-2-fluorophenyl)-3-(fluoromethyl)-6,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 86728107
4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
CID 116540408
4-(5-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol
CID 79742352

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine (CID 67025525) is (6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine is C[C@@]1(c2cc(Br)ccc2F)CCN=C(N)S1.
What is the InChIKey of (6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine?
The InChIKey is KGFQQXQLEQDFTC-NSHDSACASA-N. The full InChI is InChI=1S/C11H12BrFN2S/c1-11(4-5-15-10(14)16-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1.
What are the key properties of (6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine?
(6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine has a molecular weight of 303.20 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(5-bromo-2-fluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 67025525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).