(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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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).