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

C11H10F3N3S — CID 43663850

IUPACN-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2csnn2)c1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)9-3-1-2-8(4-9)5-15-6-10-7-18-17-16-10/h1-4,7,15H,5-6H2
InChIKeyKPNYTPVMQHTQPS-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.85
Rot. Bonds4

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

N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 43663850) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID43663850
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC NameN-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2csnn2)c1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)9-3-1-2-8(4-9)5-15-6-10-7-18-17-16-10/h1-4,7,15H,5-6H2
InChIKeyKPNYTPVMQHTQPS-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-4-(trifluoromethyl)aniline
CID 43663864
2-(2-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663876
[(4-Fluorophenyl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663916
[(2-Fluorophenyl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663921

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (CID 43663850) is N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1cccc(CNCc2csnn2)c1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KPNYTPVMQHTQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c12-11(13,14)9-3-1-2-8(4-9)5-15-6-10-7-18-17-16-10/h1-4,7,15H,5-6H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 273.28 g/mol, XLogP of 2.85, 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]methanamine is sourced from PubChem (CID 43663850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).