N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H11F3N2S — CID 3055294

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(CNC2=NCCS2)c1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)9-3-1-2-8(6-9)7-16-10-15-4-5-17-10/h1-3,6H,4-5,7H2,(H,15,16)
InChIKeyNXFOBXJAZZAGPB-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.90
Rot. Bonds2

About N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3055294) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3055294
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(CNC2=NCCS2)c1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)9-3-1-2-8(6-9)7-16-10-15-4-5-17-10/h1-3,6H,4-5,7H2,(H,15,16)
InChIKeyNXFOBXJAZZAGPB-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 3055294) is N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)c1cccc(CNC2=NCCS2)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NXFOBXJAZZAGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c12-11(13,14)9-3-1-2-8(6-9)7-16-10-15-4-5-17-10/h1-3,6H,4-5,7H2,(H,15,16).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3055294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).