N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C11H11F3N4S — CID 107304487

IUPACN-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1cccc(CN)c1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H11F3N4S/c1-18(8-4-2-3-7(5-8)6-15)10-16-9(17-19-10)11(12,13)14/h2-5H,6,15H2,1H3
InChIKeyULKUPMALQMVDGF-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.78
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304487) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304487
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1cccc(CN)c1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H11F3N4S/c1-18(8-4-2-3-7(5-8)6-15)10-16-9(17-19-10)11(12,13)14/h2-5H,6,15H2,1H3
InChIKeyULKUPMALQMVDGF-UHFFFAOYSA-N
XLogP2.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-3-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]benzenecarboximidamide
CID 107304614
N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304498
N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 65209484
N-[3-(aminomethyl)phenyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 66328458
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]benzenecarbothioamide
CID 65272272
N-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 62970817
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 115354827
N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372174
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305731

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304487) is N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN(c1cccc(CN)c1)c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ULKUPMALQMVDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-18(8-4-2-3-7(5-8)6-15)10-16-9(17-19-10)11(12,13)14/h2-5H,6,15H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 288.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).