5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine

C8H12F3N3S — CID 115516815

IUPAC5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCc1csnn1
InChIInChI=1S/C8H12F3N3S/c9-8(10,11)3-1-2-4-12-5-7-6-15-14-13-7/h6,12H,1-5H2
InChIKeyBEIHYUMYOBVJQW-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.36
Rot. Bonds6

About 5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine

5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine (PubChem CID 115516815) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine
PubChem CID115516815
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine
SMILESFC(F)(F)CCCCNCc1csnn1
InChIInChI=1S/C8H12F3N3S/c9-8(10,11)3-1-2-4-12-5-7-6-15-14-13-7/h6,12H,1-5H2
InChIKeyBEIHYUMYOBVJQW-UHFFFAOYSA-N
XLogP2.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 164641599
2,2,2-trifluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663781
N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730468
N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730750
N-(thiadiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747489
N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856321
3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63226512
2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 103529554
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-N-propyl-1-(thiadiazol-4-yl)butan-1-amine
CID 105156307
N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine
CID 105156392

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine (CID 115516815) is 5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine is FC(F)(F)CCCCNCc1csnn1.
What is the InChIKey of 5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine?
The InChIKey is BEIHYUMYOBVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c9-8(10,11)3-1-2-4-12-5-7-6-15-14-13-7/h6,12H,1-5H2.
What are the key properties of 5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine?
5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine has a molecular weight of 239.27 g/mol, XLogP of 2.36, 6 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-(thiadiazol-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 115516815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).