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

C10H8F3N3OS — CID 62195183

IUPAC4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)6-1-3-7(4-2-6)17-5-8-9(14)18-16-15-8/h1-4H,5,14H2
InChIKeyWHDJIUXQCYLSNV-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.72
Rot. Bonds3

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

4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine (PubChem CID 62195183) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
PubChem CID62195183
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)6-1-3-7(4-2-6)17-5-8-9(14)18-16-15-8/h1-4H,5,14H2
InChIKeyWHDJIUXQCYLSNV-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

4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole-5-carboxylic acid
CID 117214376
4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216218
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-amine
CID 102723015
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine
CID 62193343
O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine
CID 145175023
4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine
CID 114276784
4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine
CID 62193307
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216063
2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
CID 117220491
3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 62893556

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine (CID 62195183) is 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine is Nc1snnc1COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
The InChIKey is WHDJIUXQCYLSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c11-10(12,13)6-1-3-7(4-2-6)17-5-8-9(14)18-16-15-8/h1-4H,5,14H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine?
4-[[4-(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-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62195183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).