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

C10H8F3N3OS — CID 62193427

IUPAC4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)6-2-1-3-7(4-6)17-5-8-9(14)18-16-15-8/h1-4H,5,14H2
InChIKeyUSBLKNOKAUHMPL-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.72
Rot. Bonds3

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

4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine (PubChem CID 62193427) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
PubChem CID62193427
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)6-2-1-3-7(4-6)17-5-8-9(14)18-16-15-8/h1-4H,5,14H2
InChIKeyUSBLKNOKAUHMPL-UHFFFAOYSA-N
XLogP2.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole
CID 43407938
5-Chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole
CID 43408003
5-Chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]thiadiazole
CID 43409194
N-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
CID 55044510
4-[(2,4-Difluorophenoxy)methyl]thiadiazol-5-amine
CID 62193326
4-[(4-Fluorophenoxy)methyl]thiadiazol-5-amine
CID 62193528
4-[(3-Fluorophenoxy)methyl]thiadiazol-5-amine
CID 62193538
N-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
CID 62193606
4-[(2-Fluorophenoxy)methyl]thiadiazol-5-amine
CID 62193694
N-ethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
CID 62193772
N-propyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
CID 62193773
4-[[4-(Trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
CID 62195183

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine (CID 62193427) is 4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine is Nc1snnc1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
The InChIKey is USBLKNOKAUHMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c11-10(12,13)6-2-1-3-7(4-6)17-5-8-9(14)18-16-15-8/h1-4H,5,14H2.
What are the key properties of 4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine has a molecular weight of 275.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62193427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).