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

C9H14F3N3S — CID 105156289

IUPAC1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCCc1nnsc1C(CCC(F)(F)F)NC
InChIInChI=1S/C9H14F3N3S/c1-3-6-8(16-15-14-6)7(13-2)4-5-9(10,11)12/h7,13H,3-5H2,1-2H3
InChIKeyHUVXPVOWNVBHDC-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.70
Rot. Bonds5

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

1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 105156289) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID105156289
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC Name1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCCc1nnsc1C(CCC(F)(F)F)NC
InChIInChI=1S/C9H14F3N3S/c1-3-6-8(16-15-14-6)7(13-2)4-5-9(10,11)12/h7,13H,3-5H2,1-2H3
InChIKeyHUVXPVOWNVBHDC-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (CID 105156289) is 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine is CCc1nnsc1C(CCC(F)(F)F)NC.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is HUVXPVOWNVBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-3-6-8(16-15-14-6)7(13-2)4-5-9(10,11)12/h7,13H,3-5H2,1-2H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 253.29 g/mol, XLogP of 2.70, 5 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-methylbutan-1-amine is sourced from PubChem (CID 105156289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).