5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine

C12H21F3N2OS — CID 106250918

IUPAC5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCCOCC(F)(F)F)SC1
InChIInChI=1S/C12H21F3N2OS/c1-3-11(4-2)7-17-10(19-9-11)16-5-6-18-8-12(13,14)15/h3-9H2,1-2H3,(H,16,17)
InChIKeyNUMAGALCZREKOF-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.06
Rot. Bonds6

About 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250918) has the molecular formula C12H21F3N2OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250918
Molecular FormulaC12H21F3N2OS
Molecular Weight298.37 g/mol
Exact Mass298.13
IUPAC Name5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCCOCC(F)(F)F)SC1
InChIInChI=1S/C12H21F3N2OS/c1-3-11(4-2)7-17-10(19-9-11)16-5-6-18-8-12(13,14)15/h3-9H2,1-2H3,(H,16,17)
InChIKeyNUMAGALCZREKOF-UHFFFAOYSA-N
XLogP3.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63827745
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035435
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967901
N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916867
N-[2-(2,2-difluoroethoxy)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105916872
N-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916874
N-[2-(2,2-difluoroethoxy)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916878
N-[2-(2,2-difluoroethoxy)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916886
5-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105916890
N-[2-(2,2-difluoroethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105916897
N-[2-(2,2-difluoroethoxy)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 105916903
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916906

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 106250918) is 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCCOCC(F)(F)F)SC1.
What is the InChIKey of 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is NUMAGALCZREKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2OS/c1-3-11(4-2)7-17-10(19-9-11)16-5-6-18-8-12(13,14)15/h3-9H2,1-2H3,(H,16,17).
What are the key properties of 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 298.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).