4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine

C7H10F3N3S — CID 104862604

IUPAC4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine
SMILESCC(CC(F)(F)F)NCc1csnn1
InChIInChI=1S/C7H10F3N3S/c1-5(2-7(8,9)10)11-3-6-4-14-13-12-6/h4-5,11H,2-3H2,1H3
InChIKeySYPLBBKKLPVGLU-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.97
Rot. Bonds4

About 4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine

4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine (PubChem CID 104862604) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine
PubChem CID104862604
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine
SMILESCC(CC(F)(F)F)NCc1csnn1
InChIInChI=1S/C7H10F3N3S/c1-5(2-7(8,9)10)11-3-6-4-14-13-12-6/h4-5,11H,2-3H2,1H3
InChIKeySYPLBBKKLPVGLU-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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
2,2,2-trifluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663781
3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63226512
N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828537
2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 103083073
2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 103529554
4,4,4-trifluoro-N-methyl-1-(thiadiazol-4-yl)butan-1-amine
CID 105156255
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
N-ethyl-5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine
CID 105174383
N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210983
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine (CID 104862604) is 4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine is CC(CC(F)(F)F)NCc1csnn1.
What is the InChIKey of 4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine?
The InChIKey is SYPLBBKKLPVGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-5(2-7(8,9)10)11-3-6-4-14-13-12-6/h4-5,11H,2-3H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine?
4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine has a molecular weight of 225.24 g/mol, XLogP of 1.97, 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-(thiadiazol-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 104862604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).