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

C8H12F3N3S — CID 105156248

IUPAC1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCc1nnsc1C(N)CCC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-2-6-7(15-14-13-6)5(12)3-4-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeySHMMSURFJPHIMO-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.44
Rot. Bonds4

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

1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 105156248) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID105156248
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCc1nnsc1C(N)CCC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-2-6-7(15-14-13-6)5(12)3-4-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeySHMMSURFJPHIMO-UHFFFAOYSA-N
XLogP2.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 65205258
1-(4-Tert-butylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156283
4,4,4-Trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105156284
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156289
N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156295
1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 105156329
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-ethyl-4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156358
4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156395
1-(4-tert-butylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105156399
4,4,4-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156400
4,4,4-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156401

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine (CID 105156248) is 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine is CCc1nnsc1C(N)CCC(F)(F)F.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is SHMMSURFJPHIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-2-6-7(15-14-13-6)5(12)3-4-8(9,10)11/h5H,2-4,12H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine?
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 239.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 105156248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).