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

C11H11F3N2S — CID 2737977

IUPACN-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)8-2-4-9(5-3-8)16-10-15-6-1-7-17-10/h2-5H,1,6-7H2,(H,15,16)
InChIKeyWLCUEKRKHPLFJS-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.61
Rot. Bonds1

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

N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2737977) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2737977
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC NameN-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFC(F)(F)c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)8-2-4-9(5-3-8)16-10-15-6-1-7-17-10/h2-5H,1,6-7H2,(H,15,16)
InChIKeyWLCUEKRKHPLFJS-UHFFFAOYSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2737977) is N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is FC(F)(F)c1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WLCUEKRKHPLFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c12-11(13,14)8-2-4-9(5-3-8)16-10-15-6-1-7-17-10/h2-5H,1,6-7H2,(H,15,16).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 260.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2737977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).