(1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C16H16FN3O2S — CID 97334414

IUPAC(1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCOc1cccc(F)c1[C@H](C)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H16FN3O2S/c1-10(15-11(17)5-3-6-12(15)21-2)18-9-14-19-20-16(22-14)13-7-4-8-23-13/h3-8,10,18H,9H2,1-2H3/t10-/m0/s1
InChIKeyCTCNWLUACGHJTF-JTQLQIEISA-N
MW333.39 g/mol
LogP3.80
Rot. Bonds6

About (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

(1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 97334414) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID97334414
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name(1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCOc1cccc(F)c1[C@H](C)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H16FN3O2S/c1-10(15-11(17)5-3-6-12(15)21-2)18-9-14-19-20-16(22-14)13-7-4-8-23-13/h3-8,10,18H,9H2,1-2H3/t10-/m0/s1
InChIKeyCTCNWLUACGHJTF-JTQLQIEISA-N
XLogP3.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78818373
2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
N-[(3-bromothiophen-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 112551244
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
2-methoxy-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 41042211
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 112695118
1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 84598501

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 97334414) is (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is COc1cccc(F)c1[C@H](C)NCc1nnc(-c2cccs2)o1.
What is the InChIKey of (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is CTCNWLUACGHJTF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-10(15-11(17)5-3-6-12(15)21-2)18-9-14-19-20-16(22-14)13-7-4-8-23-13/h3-8,10,18H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
(1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 333.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 97334414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).