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

C13H22F3N3S — CID 105174390

IUPAC5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1snnc1CCC
InChIInChI=1S/C13H22F3N3S/c1-3-6-11-12(20-19-18-11)10(17-9-4-2)7-5-8-13(14,15)16/h10,17H,3-9H2,1-2H3
InChIKeyQTSYOUFLJACHKX-UHFFFAOYSA-N
MW309.40 g/mol
LogP4.26
Rot. Bonds9

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

5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine (PubChem CID 105174390) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
PubChem CID105174390
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC Name5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1snnc1CCC
InChIInChI=1S/C13H22F3N3S/c1-3-6-11-12(20-19-18-11)10(17-9-4-2)7-5-8-13(14,15)16/h10,17H,3-9H2,1-2H3
InChIKeyQTSYOUFLJACHKX-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174246
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 105023949
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
N-[1-(4-propylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169199
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine (CID 105174390) is 5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine is CCCNC(CCCC(F)(F)F)c1snnc1CCC.
What is the InChIKey of 5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is QTSYOUFLJACHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-3-6-11-12(20-19-18-11)10(17-9-4-2)7-5-8-13(14,15)16/h10,17H,3-9H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine?
5,5,5-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 309.40 g/mol, XLogP of 4.26, 9 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-propyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 105174390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).