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

C13H23F3N2S — CID 106251303

IUPAC5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCCCCC(F)(F)F)SC1
InChIInChI=1S/C13H23F3N2S/c1-3-12(4-2)9-18-11(19-10-12)17-8-6-5-7-13(14,15)16/h3-10H2,1-2H3,(H,17,18)
InChIKeyLHFVOKAQFVSAFQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.22
Rot. Bonds6

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

5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106251303) has the molecular formula C13H23F3N2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106251303
Molecular FormulaC13H23F3N2S
Molecular Weight296.40 g/mol
Exact Mass296.15
IUPAC Name5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCCCCC(F)(F)F)SC1
InChIInChI=1S/C13H23F3N2S/c1-3-12(4-2)9-18-11(19-10-12)17-8-6-5-7-13(14,15)16/h3-10H2,1-2H3,(H,17,18)
InChIKeyLHFVOKAQFVSAFQ-UHFFFAOYSA-N
XLogP4.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106251303) is 5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCCCCC(F)(F)F)SC1.
What is the InChIKey of 5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is LHFVOKAQFVSAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2S/c1-3-12(4-2)9-18-11(19-10-12)17-8-6-5-7-13(14,15)16/h3-10H2,1-2H3,(H,17,18).
What are the key properties of 5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 296.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106251303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).