2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine

C12H14FN3S — CID 105188368

IUPAC2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cnns1
InChIInChI=1S/C12H14FN3S/c1-8-5-10(13)4-3-9(8)6-11(14-2)12-7-15-16-17-12/h3-5,7,11,14H,6H2,1-2H3
InChIKeyIOOBPYSTQACPHA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.49
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine

2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine (PubChem CID 105188368) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
PubChem CID105188368
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cnns1
InChIInChI=1S/C12H14FN3S/c1-8-5-10(13)4-3-9(8)6-11(14-2)12-7-15-16-17-12/h3-5,7,11,14H,6H2,1-2H3
InChIKeyIOOBPYSTQACPHA-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluorophenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105105424
[2-(2-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 105296596
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105142882
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105136127
2-(2-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105087930
[(4-fluoro-2-methylphenyl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105302396
2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105050997
1-(2,3-difluorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050986
1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051069
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 105050991
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105377327

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine (CID 105188368) is 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine is CNC(Cc1ccc(F)cc1C)c1cnns1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is IOOBPYSTQACPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-8-5-10(13)4-3-9(8)6-11(14-2)12-7-15-16-17-12/h3-5,7,11,14H,6H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine?
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105188368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).