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

C11H11BrF2N2S — CID 58377040

IUPAC4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(c2cc(Br)c(F)cc2F)CCSC(N)=N1
InChIInChI=1S/C11H11BrF2N2S/c1-11(2-3-17-10(15)16-11)6-4-7(12)9(14)5-8(6)13/h4-5H,2-3H2,1H3,(H2,15,16)
InChIKeyBIFMZVVIYPSZLH-UHFFFAOYSA-N
MW321.19 g/mol
LogP3.39
Rot. Bonds1

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

4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 58377040) has the molecular formula C11H11BrF2N2S and a molecular weight of 321.19 g/mol. Its IUPAC name is 4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID58377040
Molecular FormulaC11H11BrF2N2S
Molecular Weight321.19 g/mol
Exact Mass319.98
IUPAC Name4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(c2cc(Br)c(F)cc2F)CCSC(N)=N1
InChIInChI=1S/C11H11BrF2N2S/c1-11(2-3-17-10(15)16-11)6-4-7(12)9(14)5-8(6)13/h4-5H,2-3H2,1H3,(H2,15,16)
InChIKeyBIFMZVVIYPSZLH-UHFFFAOYSA-N
XLogP3.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 58377040) is 4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CC1(c2cc(Br)c(F)cc2F)CCSC(N)=N1.
What is the InChIKey of 4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is BIFMZVVIYPSZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2S/c1-11(2-3-17-10(15)16-11)6-4-7(12)9(14)5-8(6)13/h4-5H,2-3H2,1H3,(H2,15,16).
What are the key properties of 4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 321.19 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,4-difluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 58377040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).