6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine

C16H13BrN2S — CID 169488899

IUPAC6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine
SMILESNC1=NC(c2ccccc2)=CC(c2ccc(Br)cc2)S1
InChIInChI=1S/C16H13BrN2S/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-10,15H,(H2,18,19)
InChIKeyKWMWVSAWYLCHKG-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.59
Rot. Bonds2

About 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine

6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine (PubChem CID 169488899) has the molecular formula C16H13BrN2S and a molecular weight of 345.27 g/mol. Its IUPAC name is 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine
PubChem CID169488899
Molecular FormulaC16H13BrN2S
Molecular Weight345.27 g/mol
Exact Mass344.00
IUPAC Name6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine
SMILESNC1=NC(c2ccccc2)=CC(c2ccc(Br)cc2)S1
InChIInChI=1S/C16H13BrN2S/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-10,15H,(H2,18,19)
InChIKeyKWMWVSAWYLCHKG-UHFFFAOYSA-N
XLogP4.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine?
The IUPAC name of 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine (CID 169488899) is 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine.
What is the SMILES notation for 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine?
The canonical SMILES for 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine is NC1=NC(c2ccccc2)=CC(c2ccc(Br)cc2)S1.
What is the InChIKey of 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine?
The InChIKey is KWMWVSAWYLCHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2S/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-10,15H,(H2,18,19).
What are the key properties of 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine?
6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine has a molecular weight of 345.27 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-4-phenyl-6H-1,3-thiazin-2-amine is sourced from PubChem (CID 169488899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).