N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

C7H10F3N3OS — CID 80623914

IUPACN-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(OCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-2-11-3-5-12-13-6(15-5)14-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyNDFHWWZUFOOASC-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.59
Rot. Bonds5

About N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 80623914) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID80623914
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC NameN-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(OCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-2-11-3-5-12-13-6(15-5)14-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyNDFHWWZUFOOASC-UHFFFAOYSA-N
XLogP1.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624476
N-methyl-1-[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624002
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 102723138
N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 106205491
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80623305
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80624766
N-[[5-(3-methoxypropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624548
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 78974931
N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623739
N-[[5-[(E)-3-phenylprop-2-enoxy]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624574
N-[[5-(4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623942
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 103213337

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 80623914) is N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(OCC(F)(F)F)s1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is NDFHWWZUFOOASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-2-11-3-5-12-13-6(15-5)14-4-7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 241.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 80623914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).