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

C12H13F3N2OS — CID 83187369

IUPAC4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccccc2OC(F)(F)F)=N1
InChIInChI=1S/C12H13F3N2OS/c1-8-6-7-19-11(16-8)17-9-4-2-3-5-10(9)18-12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyWZBOVOYINSQNTB-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.88
Rot. Bonds2

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

4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83187369) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83187369
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCSC(Nc2ccccc2OC(F)(F)F)=N1
InChIInChI=1S/C12H13F3N2OS/c1-8-6-7-19-11(16-8)17-9-4-2-3-5-10(9)18-12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyWZBOVOYINSQNTB-UHFFFAOYSA-N
XLogP3.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103193509
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187934
3-methoxy-4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 104849659
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
N-(4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187370
N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline
CID 82833774
6-chloro-4-N-methyl-2-N-[2-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 80768863
2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80768669
N-iodo-2-(trifluoromethoxy)aniline
CID 145093219
1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115002546
1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone
CID 83188479

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83187369) is 4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCSC(Nc2ccccc2OC(F)(F)F)=N1.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WZBOVOYINSQNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c1-8-6-7-19-11(16-8)17-9-4-2-3-5-10(9)18-12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of 4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 290.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83187369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).