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

C15H20FN3S — CID 105377327

IUPAC2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1snnc1C(C)C
InChIInChI=1S/C15H20FN3S/c1-9(2)14-15(20-19-18-14)13(17-4)8-11-7-12(16)6-5-10(11)3/h5-7,9,13,17H,8H2,1-4H3
InChIKeySWLIVWPUDRPPBC-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.61
Rot. Bonds5

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

2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105377327) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105377327
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1snnc1C(C)C
InChIInChI=1S/C15H20FN3S/c1-9(2)14-15(20-19-18-14)13(17-4)8-11-7-12(16)6-5-10(11)3/h5-7,9,13,17H,8H2,1-4H3
InChIKeySWLIVWPUDRPPBC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105412547
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 105373632
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 103043275
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
2-(5-fluoro-2-methylphenyl)-1-(furan-2-yl)-N-methylethanamine
CID 105373840
2-(5-fluoro-2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105377301
2-(2-chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 102622687
2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105088383
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373685
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377421
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105377327) is 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CNC(Cc1cc(F)ccc1C)c1snnc1C(C)C.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is SWLIVWPUDRPPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-9(2)14-15(20-19-18-14)13(17-4)8-11-7-12(16)6-5-10(11)3/h5-7,9,13,17H,8H2,1-4H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.61, 5 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)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105377327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).