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

C5H7F3N2S — CID 29068207

IUPACN-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)CNC1=NCCS1
InChIInChI=1S/C5H7F3N2S/c6-5(7,8)3-10-4-9-1-2-11-4/h1-3H2,(H,9,10)
InChIKeyHKYMWKIYIISYHK-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.24
Rot. Bonds1

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

N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068207) has the molecular formula C5H7F3N2S and a molecular weight of 184.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068207
Molecular FormulaC5H7F3N2S
Molecular Weight184.19 g/mol
Exact Mass184.03
IUPAC NameN-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)CNC1=NCCS1
InChIInChI=1S/C5H7F3N2S/c6-5(7,8)3-10-4-9-1-2-11-4/h1-3H2,(H,9,10)
InChIKeyHKYMWKIYIISYHK-UHFFFAOYSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 29068207) is N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)CNC1=NCCS1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HKYMWKIYIISYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2S/c6-5(7,8)3-10-4-9-1-2-11-4/h1-3H2,(H,9,10).
What are the key properties of N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 184.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).