N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine

C8H12F3N3S — CID 105156392

IUPACN-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C8H12F3N3S/c1-2-12-6(3-4-8(9,10)11)7-5-15-14-13-7/h5-6,12H,2-4H2,1H3
InChIKeyDIHLWTBMKWWVAU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine (PubChem CID 105156392) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine
PubChem CID105156392
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C8H12F3N3S/c1-2-12-6(3-4-8(9,10)11)7-5-15-14-13-7/h5-6,12H,2-4H2,1H3
InChIKeyDIHLWTBMKWWVAU-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 164641599
4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine
CID 104862604
4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine
CID 105156255
4,4,4-Trifluoro-1-(thiadiazol-4-yl)butan-1-amine
CID 105156282
4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine
CID 105156307
5,5,5-trifluoro-N-methyl-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174244
5,5,5-Trifluoro-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174271
5,5,5-trifluoro-N-propyl-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174293
N-ethyl-5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174383
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 114225771
2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 114225862
5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine
CID 115516815

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine (CID 105156392) is N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine is CCNC(CCC(F)(F)F)c1csnn1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine?
The InChIKey is DIHLWTBMKWWVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-2-12-6(3-4-8(9,10)11)7-5-15-14-13-7/h5-6,12H,2-4H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine has a molecular weight of 239.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine is sourced from PubChem (CID 105156392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).