N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine

C11H10F3N3OS — CID 62193606

IUPACN-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
SMILESCNc1snnc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3OS/c1-15-10-9(16-17-19-10)6-18-8-4-2-3-7(5-8)11(12,13)14/h2-5,15H,6H2,1H3
InChIKeyULJQTUUPGAUPNU-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.18
Rot. Bonds4

About N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine

N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine (PubChem CID 62193606) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
PubChem CID62193606
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC NameN-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
SMILESCNc1snnc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3OS/c1-15-10-9(16-17-19-10)6-18-8-4-2-3-7(5-8)11(12,13)14/h2-5,15H,6H2,1H3
InChIKeyULJQTUUPGAUPNU-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine (CID 62193606) is N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine is CNc1snnc1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
The InChIKey is ULJQTUUPGAUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-15-10-9(16-17-19-10)6-18-8-4-2-3-7(5-8)11(12,13)14/h2-5,15H,6H2,1H3.
What are the key properties of N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine has a molecular weight of 289.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62193606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).