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

C12H19F3N2S — CID 114164268

IUPAC5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NC2(C(F)(F)F)CC2)SC1
InChIInChI=1S/C12H19F3N2S/c1-3-10(4-2)7-16-9(18-8-10)17-11(5-6-11)12(13,14)15/h3-8H2,1-2H3,(H,16,17)
InChIKeyPIKKQNBMUWLCEX-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.58
Rot. Bonds3

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

5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 114164268) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID114164268
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NC2(C(F)(F)F)CC2)SC1
InChIInChI=1S/C12H19F3N2S/c1-3-10(4-2)7-16-9(18-8-10)17-11(5-6-11)12(13,14)15/h3-8H2,1-2H3,(H,16,17)
InChIKeyPIKKQNBMUWLCEX-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 114164268) is 5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NC2(C(F)(F)F)CC2)SC1.
What is the InChIKey of 5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is PIKKQNBMUWLCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-3-10(4-2)7-16-9(18-8-10)17-11(5-6-11)12(13,14)15/h3-8H2,1-2H3,(H,16,17).
What are the key properties of 5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 280.36 g/mol, XLogP of 3.58, 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-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 114164268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).