N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine

C7H10F3N3S — CID 65205256

IUPACN-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1nnsc1CNCC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-2-5-6(14-13-12-5)3-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyWGTIUDWAMOJBRH-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.75
Rot. Bonds4

About N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine

N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 65205256) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID65205256
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC NameN-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1nnsc1CNCC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-2-5-6(14-13-12-5)3-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyWGTIUDWAMOJBRH-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Piperazin-2-yl-5-(trifluoromethyl)thiadiazole
CID 91570194
2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 65199618
2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204268
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
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
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
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine (CID 65205256) is N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine is CCc1nnsc1CNCC(F)(F)F.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is WGTIUDWAMOJBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-2-5-6(14-13-12-5)3-11-4-7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 225.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 65205256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).