N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine

C13H15F2N3S — CID 105143962

IUPACN-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)c1snnc1CC
InChIInChI=1S/C13H15F2N3S/c1-3-11-13(19-18-17-11)12(16-4-2)9-7-8(14)5-6-10(9)15/h5-7,12,16H,3-4H2,1-2H3
InChIKeyYECLGRTYKLYEJH-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.08
Rot. Bonds5

About N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine

N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105143962) has the molecular formula C13H15F2N3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105143962
Molecular FormulaC13H15F2N3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)c1snnc1CC
InChIInChI=1S/C13H15F2N3S/c1-3-11-13(19-18-17-11)12(16-4-2)9-7-8(14)5-6-10(9)15/h5-7,12,16H,3-4H2,1-2H3
InChIKeyYECLGRTYKLYEJH-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839
1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105143808
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105145170
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543
N-[(3-fluoro-4-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105181884
N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine
CID 105167359
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142749
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51935776
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine (CID 105143962) is N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1cc(F)ccc1F)c1snnc1CC.
What is the InChIKey of N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is YECLGRTYKLYEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3S/c1-3-11-13(19-18-17-11)12(16-4-2)9-7-8(14)5-6-10(9)15/h5-7,12,16H,3-4H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 283.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105143962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).