2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine

C8H12F3N3S — CID 65204268

IUPAC2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCC(C)c1nnsc1CNCC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-5(2)7-6(15-14-13-7)3-12-4-8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyLISBJDWTZGEISY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.31
Rot. Bonds4

About 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 65204268) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
PubChem CID65204268
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCC(C)c1nnsc1CNCC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-5(2)7-6(15-14-13-7)3-12-4-8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyLISBJDWTZGEISY-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 65205256
N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 65205257
2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 65205258
N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156295
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-ethyl-4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156358
4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156395
4,4,4-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156400
4,4,4-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156401
4,4,4-trifluoro-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105156416
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105156519

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine (CID 65204268) is 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine is CC(C)c1nnsc1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is LISBJDWTZGEISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-5(2)7-6(15-14-13-7)3-12-4-8(9,10)11/h5,12H,3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 239.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65204268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).