(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine

C13H15FN2S — CID 113486927

IUPAC(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1cccc(F)c1)c1cncs1
InChIInChI=1S/C13H15FN2S/c1-9(11-4-3-5-12(14)6-11)16-10(2)13-7-15-8-17-13/h3-10,16H,1-2H3/t9-,10?/m1/s1
InChIKeyLLRHPRHBNZOTIA-YHMJZVADSA-N
MW250.34 g/mol
LogP3.69
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine

(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 113486927) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID113486927
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1cccc(F)c1)c1cncs1
InChIInChI=1S/C13H15FN2S/c1-9(11-4-3-5-12(14)6-11)16-10(2)13-7-15-8-17-13/h3-10,16H,1-2H3/t9-,10?/m1/s1
InChIKeyLLRHPRHBNZOTIA-YHMJZVADSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113260329
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
(1S)-1-(3-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81365467
(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81365857
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 114985837
(1S)-N-(dithiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81353521
(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81365246
(1R)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81367215
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine (CID 113486927) is (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is CC(N[C@H](C)c1cccc(F)c1)c1cncs1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is LLRHPRHBNZOTIA-YHMJZVADSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9(11-4-3-5-12(14)6-11)16-10(2)13-7-15-8-17-13/h3-10,16H,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine?
(1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 113486927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).