5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine

C10H17F3N2S — CID 106249861

IUPAC5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCC(F)(F)F)SC1
InChIInChI=1S/C10H17F3N2S/c1-3-9(4-2)5-14-8(16-7-9)15-6-10(11,12)13/h3-7H2,1-2H3,(H,14,15)
InChIKeyTWZOXSNJYQIVND-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.05
Rot. Bonds3

About 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106249861) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106249861
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCC(F)(F)F)SC1
InChIInChI=1S/C10H17F3N2S/c1-3-9(4-2)5-14-8(16-7-9)15-6-10(11,12)13/h3-7H2,1-2H3,(H,14,15)
InChIKeyTWZOXSNJYQIVND-UHFFFAOYSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967598
N-(2,2-difluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968008
N-(4,4,4-trifluorobutan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 105943254
5,5-diethyl-N-(3,3,3-trifluoropropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250844
N-(2,2-difluoroethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106251297
5,5-diethyl-N-(4,4,4-trifluorobutyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251300
5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251303
5-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106284857
5-pentan-3-yl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285251
N-(2,2-difluoroethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285500
5-pentan-3-yl-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285501
5-pentan-3-yl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285502

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106249861) is 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCC(F)(F)F)SC1.
What is the InChIKey of 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is TWZOXSNJYQIVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c1-3-9(4-2)5-14-8(16-7-9)15-6-10(11,12)13/h3-7H2,1-2H3,(H,14,15).
What are the key properties of 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 254.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(2,2,2-trifluoroethyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106249861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).