2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C14H17F2N3S — CID 105412547

IUPAC2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1snnc1C(C)C
InChIInChI=1S/C14H17F2N3S/c1-8(2)13-14(20-19-18-13)12(17-3)6-9-4-10(15)7-11(16)5-9/h4-5,7-8,12,17H,6H2,1-3H3
InChIKeyUXLUPYNGDKCADT-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.44
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105412547) has the molecular formula C14H17F2N3S and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105412547
Molecular FormulaC14H17F2N3S
Molecular Weight297.37 g/mol
Exact Mass297.11
IUPAC Name2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1snnc1C(C)C
InChIInChI=1S/C14H17F2N3S/c1-8(2)13-14(20-19-18-13)12(17-3)6-9-4-10(15)7-11(16)5-9/h4-5,7-8,12,17H,6H2,1-3H3
InChIKeyUXLUPYNGDKCADT-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105377327
2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
CID 105169475
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 105160454
N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine
CID 105094228
2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105161863
2-(3,5-difluorophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 55078368
2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 105406726
2-(3,5-difluorophenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 105406856
2-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105098842
2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105121858
2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 105412321

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105412547) is 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CNC(Cc1cc(F)cc(F)c1)c1snnc1C(C)C.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is UXLUPYNGDKCADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3S/c1-8(2)13-14(20-19-18-13)12(17-3)6-9-4-10(15)7-11(16)5-9/h4-5,7-8,12,17H,6H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 297.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105412547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).