2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine

C12H14FN3S — CID 105377301

IUPAC2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1snnc1C
InChIInChI=1S/C12H14FN3S/c1-7-3-4-10(13)5-9(7)6-11(14)12-8(2)15-16-17-12/h3-5,11H,6,14H2,1-2H3
InChIKeyAALVDTSZBVCJKY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.54
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine

2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105377301) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105377301
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1snnc1C
InChIInChI=1S/C12H14FN3S/c1-7-3-4-10(13)5-9(7)6-11(14)12-8(2)15-16-17-12/h3-5,11H,6,14H2,1-2H3
InChIKeyAALVDTSZBVCJKY-UHFFFAOYSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 102866882
2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
CID 105373657
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105377327
2-(2-chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 102622687
2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 107891535
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 105373987
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105377301) is 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine is Cc1ccc(F)cc1CC(N)c1snnc1C.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is AALVDTSZBVCJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-7-3-4-10(13)5-9(7)6-11(14)12-8(2)15-16-17-12/h3-5,11H,6,14H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine?
2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105377301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).