N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine

C10H16F3N3S — CID 105156470

IUPACN-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1snnc1CC
InChIInChI=1S/C10H16F3N3S/c1-3-7-9(17-16-15-7)8(14-4-2)5-6-10(11,12)13/h8,14H,3-6H2,1-2H3
InChIKeyAMQQPAKOQDWFNI-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.09
Rot. Bonds6

About N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine

N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 105156470) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID105156470
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1snnc1CC
InChIInChI=1S/C10H16F3N3S/c1-3-7-9(17-16-15-7)8(14-4-2)5-6-10(11,12)13/h8,14H,3-6H2,1-2H3
InChIKeyAMQQPAKOQDWFNI-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.09
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-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine
CID 105152683
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine
CID 105179701
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-en-1-amine
CID 105153232
5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174246
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
[1-(4-ethylthiadiazol-5-yl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026396
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485
2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105139611
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine (CID 105156470) is N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)c1snnc1CC.
What is the InChIKey of N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is AMQQPAKOQDWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-3-7-9(17-16-15-7)8(14-4-2)5-6-10(11,12)13/h8,14H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine?
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 105156470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).