N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine

C11H10F3N3OS — CID 105141525

IUPACN-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cnsn1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-15-10(8-6-16-19-17-8)7-4-2-3-5-9(7)18-11(12,13)14/h2-6,10,15H,1H3
InChIKeyARWSUDYOYQQWOC-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.75
Rot. Bonds4

About N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine

N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 105141525) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID105141525
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC NameN-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cnsn1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-15-10(8-6-16-19-17-8)7-4-2-3-5-9(7)18-11(12,13)14/h2-6,10,15H,1H3
InChIKeyARWSUDYOYQQWOC-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141538
1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850814
N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105180804
N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102840364
1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105120137
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105145535
N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105141520
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 105141525) is N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine is CNC(c1cnsn1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is ARWSUDYOYQQWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-15-10(8-6-16-19-17-8)7-4-2-3-5-9(7)18-11(12,13)14/h2-6,10,15H,1H3.
What are the key properties of N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 289.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 105141525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).