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

C11H12BrFN2S — CID 145015723

IUPAC4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(c2cc(Br)ccc2F)N=C(N)S1
InChIInChI=1S/C11H12BrFN2S/c1-6-4-10(15-11(14)16-6)8-5-7(12)2-3-9(8)13/h2-3,5-6,10H,4H2,1H3,(H2,14,15)
InChIKeyWVDGKOCDXUVXDV-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.47
Rot. Bonds1

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

4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 145015723) has the molecular formula C11H12BrFN2S and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID145015723
Molecular FormulaC11H12BrFN2S
Molecular Weight303.20 g/mol
Exact Mass301.99
IUPAC Name4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(c2cc(Br)ccc2F)N=C(N)S1
InChIInChI=1S/C11H12BrFN2S/c1-6-4-10(15-11(14)16-6)8-5-7(12)2-3-9(8)13/h2-3,5-6,10H,4H2,1H3,(H2,14,15)
InChIKeyWVDGKOCDXUVXDV-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 145015723) is 4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CC(c2cc(Br)ccc2F)N=C(N)S1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WVDGKOCDXUVXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2S/c1-6-4-10(15-11(14)16-6)8-5-7(12)2-3-9(8)13/h2-3,5-6,10H,4H2,1H3,(H2,14,15).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 303.20 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-6-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 145015723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).