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

C11H11F3N2S — CID 54168734

IUPACN-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)C(NC1=NCCS1)c1ccccc1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)9(8-4-2-1-3-5-8)16-10-15-6-7-17-10/h1-5,9H,6-7H2,(H,15,16)
InChIKeyOTNAVTHMJGFBLY-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.98
Rot. Bonds2

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

N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54168734) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54168734
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC NameN-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)C(NC1=NCCS1)c1ccccc1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)9(8-4-2-1-3-5-8)16-10-15-6-7-17-10/h1-5,9H,6-7H2,(H,15,16)
InChIKeyOTNAVTHMJGFBLY-UHFFFAOYSA-N
XLogP2.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.98
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-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54168734) is N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)C(NC1=NCCS1)c1ccccc1.
What is the InChIKey of N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OTNAVTHMJGFBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c12-11(13,14)9(8-4-2-1-3-5-8)16-10-15-6-7-17-10/h1-5,9H,6-7H2,(H,15,16).
What are the key properties of N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54168734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).