3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C13H13F3N2S — CID 55150406

IUPAC3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESFC(F)(F)CC(NCc1cscn1)c1ccccc1
InChIInChI=1S/C13H13F3N2S/c14-13(15,16)6-12(10-4-2-1-3-5-10)17-7-11-8-19-9-18-11/h1-5,8-9,12,17H,6-7H2
InChIKeyYSIBCCYGATZONY-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.93
Rot. Bonds5

About 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 55150406) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID55150406
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESFC(F)(F)CC(NCc1cscn1)c1ccccc1
InChIInChI=1S/C13H13F3N2S/c14-13(15,16)6-12(10-4-2-1-3-5-10)17-7-11-8-19-9-18-11/h1-5,8-9,12,17H,6-7H2
InChIKeyYSIBCCYGATZONY-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61168873
3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
CID 62847357
3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895245
1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 62049333
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696428
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 54897637
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
CID 115607292
N-[(4,5-dimethylthiophen-2-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 65246588
1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
CID 106434786

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 55150406) is 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is FC(F)(F)CC(NCc1cscn1)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is YSIBCCYGATZONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c14-13(15,16)6-12(10-4-2-1-3-5-10)17-7-11-8-19-9-18-11/h1-5,8-9,12,17H,6-7H2.
What are the key properties of 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 286.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 55150406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).