N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine

C11H18F3N3S — CID 105156295

IUPACN-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
SMILESCCCc1nnsc1C(CCC(F)(F)F)NCC
InChIInChI=1S/C11H18F3N3S/c1-3-5-9-10(18-17-16-9)8(15-4-2)6-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyFRYVDPXZTLIABZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.48
Rot. Bonds7

About N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine (PubChem CID 105156295) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
PubChem CID105156295
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
SMILESCCCc1nnsc1C(CCC(F)(F)F)NCC
InChIInChI=1S/C11H18F3N3S/c1-3-5-9-10(18-17-16-9)8(15-4-2)6-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyFRYVDPXZTLIABZ-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
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine (CID 105156295) is N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine is CCCc1nnsc1C(CCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine?
The InChIKey is FRYVDPXZTLIABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-3-5-9-10(18-17-16-9)8(15-4-2)6-7-11(12,13)14/h8,15H,3-7H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-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 N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105156295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).