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

C11H11F3N4S — CID 107304498

IUPACN-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C(F)(F)F)ns1)c1ccccc1CN
InChIInChI=1S/C11H11F3N4S/c1-18(8-5-3-2-4-7(8)6-15)10-16-9(17-19-10)11(12,13)14/h2-5H,6,15H2,1H3
InChIKeyOTBJCFAREWRHAF-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.78
Rot. Bonds3

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

N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304498) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304498
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC NameN-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C(F)(F)F)ns1)c1ccccc1CN
InChIInChI=1S/C11H11F3N4S/c1-18(8-5-3-2-4-7(8)6-15)10-16-9(17-19-10)11(12,13)14/h2-5H,6,15H2,1H3
InChIKeyOTBJCFAREWRHAF-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304498) is N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN(c1nc(C(F)(F)F)ns1)c1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OTBJCFAREWRHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-18(8-5-3-2-4-7(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-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(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-[2-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).