N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

C12H12F3N3S — CID 43723813

IUPACN-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1csnn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3S/c1-8(16-6-11-7-19-18-17-11)9-3-2-4-10(5-9)12(13,14)15/h2-5,7-8,16H,6H2,1H3
InChIKeyHCEAXWOZLYIQAM-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.41
Rot. Bonds4

About N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine

N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 43723813) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID43723813
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC NameN-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCc1csnn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3S/c1-8(16-6-11-7-19-18-17-11)9-3-2-4-10(5-9)12(13,14)15/h2-5,7-8,16H,6H2,1H3
InChIKeyHCEAXWOZLYIQAM-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methyl-1-phenylethanamine
CID 53601427
1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 86787817
(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 71015547
4-[[(3R)-3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 139302679
N-(4,4-difluorobut-3-enyl)-5-phenylthiadiazole-4-carbothioamide
CID 139818235
4-[[3-(3,4-Difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 141523733
2-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663827
N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 43663831
N-(thiadiazol-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43663832
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43663850
N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
CID 43663864
2-(2-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663876

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 43723813) is N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is CC(NCc1csnn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HCEAXWOZLYIQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S/c1-8(16-6-11-7-19-18-17-11)9-3-2-4-10(5-9)12(13,14)15/h2-5,7-8,16H,6H2,1H3.
What are the key properties of N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 287.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 43723813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).