6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine

C11H13BrN2S — CID 67025318

IUPAC6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
SMILESCC1(c2cccc(Br)c2)CCN=C(N)S1
InChIInChI=1S/C11H13BrN2S/c1-11(5-6-14-10(13)15-11)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H2,13,14)
InChIKeyWCGBIYYEFRBYKG-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.12
Rot. Bonds1

About 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine

6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine (PubChem CID 67025318) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
PubChem CID67025318
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine
SMILESCC1(c2cccc(Br)c2)CCN=C(N)S1
InChIInChI=1S/C11H13BrN2S/c1-11(5-6-14-10(13)15-11)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H2,13,14)
InChIKeyWCGBIYYEFRBYKG-UHFFFAOYSA-N
XLogP3.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine (CID 67025318) is 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine is CC1(c2cccc(Br)c2)CCN=C(N)S1.
What is the InChIKey of 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine?
The InChIKey is WCGBIYYEFRBYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-11(5-6-14-10(13)15-11)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H2,13,14).
What are the key properties of 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine?
6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine has a molecular weight of 285.21 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 67025318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).