4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine

C9H14F3N3S — CID 105156307

IUPAC4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C9H14F3N3S/c1-2-5-13-7(3-4-9(10,11)12)8-6-16-15-14-8/h6-7,13H,2-5H2,1H3
InChIKeyLXDQJSVZKNKCTD-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.92
Rot. Bonds6

About 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine

4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine (PubChem CID 105156307) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine
PubChem CID105156307
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC Name4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C9H14F3N3S/c1-2-5-13-7(3-4-9(10,11)12)8-6-16-15-14-8/h6-7,13H,2-5H2,1H3
InChIKeyLXDQJSVZKNKCTD-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 164641599
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-1-(thiadiazol-4-yl)butan-1-amine
CID 105156282
N-ethyl-4,4,4-trifluoro-1-(thiadiazol-4-yl)butan-1-amine
CID 105156392
5,5,5-trifluoro-N-methyl-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174244
5,5,5-Trifluoro-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174271
5,5,5-trifluoro-N-propyl-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174293
N-ethyl-5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174383
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 114225771
2-(3,3-difluorocyclohexyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 114225862
5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine
CID 115516815

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine (CID 105156307) is 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine is CCCNC(CCC(F)(F)F)c1csnn1.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine?
The InChIKey is LXDQJSVZKNKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-2-5-13-7(3-4-9(10,11)12)8-6-16-15-14-8/h6-7,13H,2-5H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine?
4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine has a molecular weight of 253.29 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine is sourced from PubChem (CID 105156307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).