(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine

C12H12F3N3S — CID 105145381

IUPAC(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCc1nnsc1C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N3S/c1-2-9-11(19-18-17-9)10(16)7-5-3-4-6-8(7)12(13,14)15/h3-6,10H,2,16H2,1H3
InChIKeyVAMYVJOCQZTUDX-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.17
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine

(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 105145381) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID105145381
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC Name(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCc1nnsc1C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N3S/c1-2-9-11(19-18-17-9)10(16)7-5-3-4-6-8(7)12(13,14)15/h3-6,10H,2,16H2,1H3
InChIKeyVAMYVJOCQZTUDX-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709870
(4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine
CID 105147328
[(4-ethylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710567
(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 43197636
4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide
CID 94800227
(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145408
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
2-(5-ethylthiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115842275
(6-methyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 63556299
(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145412
(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107292136

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine (CID 105145381) is (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine is CCc1nnsc1C(N)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VAMYVJOCQZTUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S/c1-2-9-11(19-18-17-9)10(16)7-5-3-4-6-8(7)12(13,14)15/h3-6,10H,2,16H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 287.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105145381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).