4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine

C8H12F3N3S — CID 105156351

IUPAC4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)c1snnc1C
InChIInChI=1S/C8H12F3N3S/c1-5-7(15-14-13-5)6(12-2)3-4-8(9,10)11/h6,12H,3-4H2,1-2H3
InChIKeyUCEKDMGBILNRSY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.45
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine

4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine (PubChem CID 105156351) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
PubChem CID105156351
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)c1snnc1C
InChIInChI=1S/C8H12F3N3S/c1-5-7(15-14-13-5)6(12-2)3-4-8(9,10)11/h6,12H,3-4H2,1-2H3
InChIKeyUCEKDMGBILNRSY-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153409
N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine
CID 105094073
5,5,5-trifluoro-N-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-amine
CID 105174246
N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150256
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470
2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105089102
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159022
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177948
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
N,4,4-trimethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105140195
4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 64566820

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine (CID 105156351) is 4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine is CNC(CCC(F)(F)F)c1snnc1C.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine?
The InChIKey is UCEKDMGBILNRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-5-7(15-14-13-5)6(12-2)3-4-8(9,10)11/h6,12H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine has a molecular weight of 239.27 g/mol, XLogP of 2.45, 4 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-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105156351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).