5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine

C11H18F3N3S — CID 105174246

IUPAC5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
SMILESCCCc1nnsc1C(CCCC(F)(F)F)NC
InChIInChI=1S/C11H18F3N3S/c1-3-5-9-10(18-17-16-9)8(15-2)6-4-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyDVYFJNGSTRAEJK-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.48
Rot. Bonds7

About 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine

5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine (PubChem CID 105174246) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
PubChem CID105174246
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
SMILESCCCc1nnsc1C(CCCC(F)(F)F)NC
InChIInChI=1S/C11H18F3N3S/c1-3-5-9-10(18-17-16-9)8(15-2)6-4-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyDVYFJNGSTRAEJK-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174390
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
[4-phenyl-1-(4-propylthiadiazol-5-yl)butyl]hydrazine
CID 105299779
2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105177552
1-(4-ethylthiadiazol-5-yl)octylhydrazine
CID 105293632

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine (CID 105174246) is 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine is CCCc1nnsc1C(CCCC(F)(F)F)NC.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is DVYFJNGSTRAEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-3-5-9-10(18-17-16-9)8(15-2)6-4-7-11(12,13)14/h8,15H,3-7H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 281.35 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 105174246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).