1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine

C14H17FN2S — CID 113348121

IUPAC1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccccc1F)NC(C)c1nccs1
InChIInChI=1S/C14H17FN2S/c1-10(9-12-5-3-4-6-13(12)15)17-11(2)14-16-7-8-18-14/h3-8,10-11,17H,9H2,1-2H3
InChIKeyCTSYNDCMAPWDPH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.56
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine

1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 113348121) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID113348121
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccccc1F)NC(C)c1nccs1
InChIInChI=1S/C14H17FN2S/c1-10(9-12-5-3-4-6-13(12)15)17-11(2)14-16-7-8-18-14/h3-8,10-11,17H,9H2,1-2H3
InChIKeyCTSYNDCMAPWDPH-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
2-fluoro-6-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112606910
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828627
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 114830832
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79763407

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 113348121) is 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine is CC(Cc1ccccc1F)NC(C)c1nccs1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is CTSYNDCMAPWDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-10(9-12-5-3-4-6-13(12)15)17-11(2)14-16-7-8-18-14/h3-8,10-11,17H,9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 113348121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).