N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H9BrF2N2S — CID 43168346

IUPACN-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cc(F)c(NC2=NCCCS2)c(Br)c1
InChIInChI=1S/C10H9BrF2N2S/c11-7-4-6(12)5-8(13)9(7)15-10-14-2-1-3-16-10/h4-5H,1-3H2,(H,14,15)
InChIKeyIHDYCQYOGJOQCX-UHFFFAOYSA-N
MW307.16 g/mol
LogP3.63
Rot. Bonds1

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

N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 43168346) has the molecular formula C10H9BrF2N2S and a molecular weight of 307.16 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID43168346
Molecular FormulaC10H9BrF2N2S
Molecular Weight307.16 g/mol
Exact Mass305.96
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cc(F)c(NC2=NCCCS2)c(Br)c1
InChIInChI=1S/C10H9BrF2N2S/c11-7-4-6(12)5-8(13)9(7)15-10-14-2-1-3-16-10/h4-5H,1-3H2,(H,14,15)
InChIKeyIHDYCQYOGJOQCX-UHFFFAOYSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 43168346) is N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Fc1cc(F)c(NC2=NCCCS2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is IHDYCQYOGJOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2S/c11-7-4-6(12)5-8(13)9(7)15-10-14-2-1-3-16-10/h4-5H,1-3H2,(H,14,15).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 307.16 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 43168346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).