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

C13H15F3N2OS — CID 115361089

IUPAC5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2ccc(OC(F)(F)F)cc2)SC1
InChIInChI=1S/C13H15F3N2OS/c1-12(2)7-17-11(20-8-12)18-9-3-5-10(6-4-9)19-13(14,15)16/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyHTJPWMABKHVSNA-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.13
Rot. Bonds2

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

5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361089) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361089
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(Nc2ccc(OC(F)(F)F)cc2)SC1
InChIInChI=1S/C13H15F3N2OS/c1-12(2)7-17-11(20-8-12)18-9-3-5-10(6-4-9)19-13(14,15)16/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyHTJPWMABKHVSNA-UHFFFAOYSA-N
XLogP4.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine
CID 62524656
(5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 705129
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
N-(4-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967536
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361112
N-(2-chlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361144
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
(5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 705034
3-N-[4-(trifluoromethoxy)phenyl]benzene-1,3-diamine
CID 43245746
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 115361089) is 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(Nc2ccc(OC(F)(F)F)cc2)SC1.
What is the InChIKey of 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is HTJPWMABKHVSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c1-12(2)7-17-11(20-8-12)18-9-3-5-10(6-4-9)19-13(14,15)16/h3-6H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 304.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).