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

C8H12F3N3S — CID 65205258

IUPAC2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1CNCC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-2-3-6-7(15-14-13-6)4-12-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyPRGWXYZIJQOLMJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.14
Rot. Bonds5

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

2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 65205258) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine
PubChem CID65205258
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1CNCC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-2-3-6-7(15-14-13-6)4-12-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyPRGWXYZIJQOLMJ-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204268
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
1-(4-Ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156248
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156289
N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156295
1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 105156329
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
1-(4-tert-butylthiadiazol-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105156399
4,4,4-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156400

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine (CID 65205258) is 2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine is CCCc1nnsc1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is PRGWXYZIJQOLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-2-3-6-7(15-14-13-6)4-12-5-8(9,10)11/h12H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 239.27 g/mol, XLogP of 2.14, 5 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-propylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65205258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).