[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine

C10H8F3N3OS — CID 114450122

IUPAC[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine
SMILESNCc1ccc(Oc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)8-15-16-9(18-8)17-7-3-1-6(5-14)2-4-7/h1-4H,5,14H2
InChIKeyTYWRNOLCHLUJEG-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.81
Rot. Bonds3

About [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine

[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine (PubChem CID 114450122) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine
PubChem CID114450122
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine
SMILESNCc1ccc(Oc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)8-15-16-9(18-8)17-7-3-1-6(5-14)2-4-7/h1-4H,5,14H2
InChIKeyTYWRNOLCHLUJEG-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine?
The IUPAC name of [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine (CID 114450122) is [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine?
The canonical SMILES for [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine is NCc1ccc(Oc2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine?
The InChIKey is TYWRNOLCHLUJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c11-10(12,13)8-15-16-9(18-8)17-7-3-1-6(5-14)2-4-7/h1-4H,5,14H2.
What are the key properties of [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine?
[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine has a molecular weight of 275.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine is sourced from PubChem (CID 114450122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).