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

C11H19F3N2S — CID 115520973

IUPAC5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCCCC(F)(F)F)SC1
InChIInChI=1S/C11H19F3N2S/c1-10(2)7-16-9(17-8-10)15-6-4-3-5-11(12,13)14/h3-8H2,1-2H3,(H,15,16)
InChIKeyAUBSNVNOEIXIQS-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.44
Rot. Bonds4

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

5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115520973) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is 5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115520973
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Name5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCCCC(F)(F)F)SC1
InChIInChI=1S/C11H19F3N2S/c1-10(2)7-16-9(17-8-10)15-6-4-3-5-11(12,13)14/h3-8H2,1-2H3,(H,15,16)
InChIKeyAUBSNVNOEIXIQS-UHFFFAOYSA-N
XLogP3.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.44
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-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 115520973) is 5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCCCCC(F)(F)F)SC1.
What is the InChIKey of 5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is AUBSNVNOEIXIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c1-10(2)7-16-9(17-8-10)15-6-4-3-5-11(12,13)14/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 268.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115520973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).