2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine

C13H15F2N3S — CID 105137731

IUPAC2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1snnc1C
InChIInChI=1S/C13H15F2N3S/c1-3-16-11(13-8(2)17-18-19-13)7-9-5-4-6-10(14)12(9)15/h4-6,11,16H,3,7H2,1-2H3
InChIKeyWCGXRCJAQVBVGF-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.02
Rot. Bonds5

About 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine

2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105137731) has the molecular formula C13H15F2N3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105137731
Molecular FormulaC13H15F2N3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1snnc1C
InChIInChI=1S/C13H15F2N3S/c1-3-16-11(13-8(2)17-18-19-13)7-9-5-4-6-10(14)12(9)15/h4-6,11,16H,3,7H2,1-2H3
InChIKeyWCGXRCJAQVBVGF-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105087520
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105131942
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105136734
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105118074
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105334201
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105157384
1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105137731) is 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine is CCNC(Cc1cccc(F)c1F)c1snnc1C.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is WCGXRCJAQVBVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3S/c1-3-16-11(13-8(2)17-18-19-13)7-9-5-4-6-10(14)12(9)15/h4-6,11,16H,3,7H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 283.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105137731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).