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

C7H10F3N3S — CID 105156255

IUPAC4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C7H10F3N3S/c1-11-5(2-3-7(8,9)10)6-4-14-13-12-6/h4-5,11H,2-3H2,1H3
InChIKeySALMUBCKCXZKKA-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.14
Rot. Bonds4

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

4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine (PubChem CID 105156255) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine
PubChem CID105156255
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C7H10F3N3S/c1-11-5(2-3-7(8,9)10)6-4-14-13-12-6/h4-5,11H,2-3H2,1H3
InChIKeySALMUBCKCXZKKA-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine
CID 104862604
4,4,4-Trifluoro-1-(thiadiazol-4-yl)butan-1-amine
CID 105156282
4,4,4-trifluoro-N-propyl-1-(thiadiazol-4-yl)butan-1-amine
CID 105156307
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
[4,4,4-Trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine
CID 105313849
[5,5,5-Trifluoro-1-(thiadiazol-4-yl)pentyl]hydrazine
CID 105328895
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

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine (CID 105156255) is 4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine is CNC(CCC(F)(F)F)c1csnn1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine?
The InChIKey is SALMUBCKCXZKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-11-5(2-3-7(8,9)10)6-4-14-13-12-6/h4-5,11H,2-3H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 2.14, 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-(thiadiazol-4-yl)butan-1-amine is sourced from PubChem (CID 105156255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).