N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine

C5H8F2N2S — CID 115407836

IUPACN-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)CNC1=NCCS1
InChIInChI=1S/C5H8F2N2S/c6-4(7)3-9-5-8-1-2-10-5/h4H,1-3H2,(H,8,9)
InChIKeyLCESUZGOAGGYKB-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.94
Rot. Bonds2

About N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 115407836) has the molecular formula C5H8F2N2S and a molecular weight of 166.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID115407836
Molecular FormulaC5H8F2N2S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC NameN-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)CNC1=NCCS1
InChIInChI=1S/C5H8F2N2S/c6-4(7)3-9-5-8-1-2-10-5/h4H,1-3H2,(H,8,9)
InChIKeyLCESUZGOAGGYKB-UHFFFAOYSA-N
XLogP0.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 115407836) is N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)CNC1=NCCS1.
What is the InChIKey of N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LCESUZGOAGGYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2S/c6-4(7)3-9-5-8-1-2-10-5/h4H,1-3H2,(H,8,9).
What are the key properties of N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 166.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 115407836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).