N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H12BrF3N2OS — CID 103193509

IUPACN-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc(Br)cc2OC(F)(F)F)=N1
InChIInChI=1S/C12H12BrF3N2OS/c1-7-4-5-20-11(17-7)18-9-3-2-8(13)6-10(9)19-12(14,15)16/h2-3,6-7H,4-5H2,1H3,(H,17,18)
InChIKeyKZMCBCXGSRIMEH-UHFFFAOYSA-N
MW369.21 g/mol
LogP4.64
Rot. Bonds2

About N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 103193509) has the molecular formula C12H12BrF3N2OS and a molecular weight of 369.21 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID103193509
Molecular FormulaC12H12BrF3N2OS
Molecular Weight369.21 g/mol
Exact Mass367.98
IUPAC NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccc(Br)cc2OC(F)(F)F)=N1
InChIInChI=1S/C12H12BrF3N2OS/c1-7-4-5-20-11(17-7)18-9-3-2-8(13)6-10(9)19-12(14,15)16/h2-3,6-7H,4-5H2,1H3,(H,17,18)
InChIKeyKZMCBCXGSRIMEH-UHFFFAOYSA-N
XLogP4.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 103193509) is N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCSC(Nc2ccc(Br)cc2OC(F)(F)F)=N1.
What is the InChIKey of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is KZMCBCXGSRIMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2OS/c1-7-4-5-20-11(17-7)18-9-3-2-8(13)6-10(9)19-12(14,15)16/h2-3,6-7H,4-5H2,1H3,(H,17,18).
What are the key properties of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 369.21 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 103193509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).