N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine

C15H20FN3S — CID 106883916

IUPACN-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1snnc1CC)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H20FN3S/c1-5-12-15(20-19-18-12)14(17-6-2)13-10(4)7-9(3)8-11(13)16/h7-8,14,17H,5-6H2,1-4H3
InChIKeyFZCJFPYAFWXHNT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.56
Rot. Bonds5

About N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine

N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine (PubChem CID 106883916) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
PubChem CID106883916
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1snnc1CC)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H20FN3S/c1-5-12-15(20-19-18-12)14(17-6-2)13-10(4)7-9(3)8-11(13)16/h7-8,14,17H,5-6H2,1-4H3
InChIKeyFZCJFPYAFWXHNT-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine (CID 106883916) is N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine is CCNC(c1snnc1CC)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
The InChIKey is FZCJFPYAFWXHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-5-12-15(20-19-18-12)14(17-6-2)13-10(4)7-9(3)8-11(13)16/h7-8,14,17H,5-6H2,1-4H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine?
N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106883916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).