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

C11H12BrFN2S — CID 68543239

IUPAC(4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(Br)ccc2F)CCSC(N)=N1
InChIInChI=1S/C11H12BrFN2S/c1-11(4-5-16-10(14)15-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyXSDOIORWZFYRLD-NSHDSACASA-N
MW303.20 g/mol
LogP3.26
Rot. Bonds1

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

(4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 68543239) has the molecular formula C11H12BrFN2S and a molecular weight of 303.20 g/mol. Its IUPAC name is (4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID68543239
Molecular FormulaC11H12BrFN2S
Molecular Weight303.20 g/mol
Exact Mass301.99
IUPAC Name(4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESC[C@@]1(c2cc(Br)ccc2F)CCSC(N)=N1
InChIInChI=1S/C11H12BrFN2S/c1-11(4-5-16-10(14)15-11)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyXSDOIORWZFYRLD-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 (4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of (4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 68543239) is (4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for (4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for (4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is C[C@@]1(c2cc(Br)ccc2F)CCSC(N)=N1.
What is the InChIKey of (4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is XSDOIORWZFYRLD-NSHDSACASA-N. The full InChI is InChI=1S/C11H12BrFN2S/c1-11(4-5-16-10(14)15-11)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 (4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
(4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-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 (4S)-4-(5-bromo-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 68543239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).