1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

C11H18F3N3S — CID 105156519

IUPAC1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1snnc1CC
InChIInChI=1S/C11H18F3N3S/c1-3-7-15-9(5-6-11(12,13)14)10-8(4-2)16-17-18-10/h9,15H,3-7H2,1-2H3
InChIKeyDXHZFSIURDXFQF-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.48
Rot. Bonds7

About 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 105156519) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID105156519
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1snnc1CC
InChIInChI=1S/C11H18F3N3S/c1-3-7-15-9(5-6-11(12,13)14)10-8(4-2)16-17-18-10/h9,15H,3-7H2,1-2H3
InChIKeyDXHZFSIURDXFQF-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204268
N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 65205256
2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 65205258
1-(4-Ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156248
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 105156519) is 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1snnc1CC.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The InChIKey is DXHZFSIURDXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-3-7-15-9(5-6-11(12,13)14)10-8(4-2)16-17-18-10/h9,15H,3-7H2,1-2H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 281.35 g/mol, XLogP of 3.48, 7 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-trifluoro-N-propylbutan-1-amine is sourced from PubChem (CID 105156519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).