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

C7H11F3N2S — CID 65036111

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC(F)(F)F)SC1
InChIInChI=1S/C7H11F3N2S/c1-5-2-11-6(13-3-5)12-4-7(8,9)10/h5H,2-4H2,1H3,(H,11,12)
InChIKeyVOYZZWGBKLWHSJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.88
Rot. Bonds1

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

5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65036111) has the molecular formula C7H11F3N2S and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65036111
Molecular FormulaC7H11F3N2S
Molecular Weight212.24 g/mol
Exact Mass212.06
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC(F)(F)F)SC1
InChIInChI=1S/C7H11F3N2S/c1-5-2-11-6(13-3-5)12-4-7(8,9)10/h5H,2-4H2,1H3,(H,11,12)
InChIKeyVOYZZWGBKLWHSJ-UHFFFAOYSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65036111) is 5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCC(F)(F)F)SC1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VOYZZWGBKLWHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2S/c1-5-2-11-6(13-3-5)12-4-7(8,9)10/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 212.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65036111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).