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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).