N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine

C7H10F3N3OS — CID 80608925

IUPACN-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-2-11-6-13-12-5(15-6)3-14-4-7(8,9)10/h2-4H2,1H3,(H,11,13)
InChIKeyDIGLUMVMOQMAKI-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.05
Rot. Bonds5

About N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80608925) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80608925
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC NameN-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c1-2-11-6-13-12-5(15-6)3-14-4-7(8,9)10/h2-4H2,1H3,(H,11,13)
InChIKeyDIGLUMVMOQMAKI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80608925) is N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(COCC(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DIGLUMVMOQMAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-2-11-6-13-12-5(15-6)3-14-4-7(8,9)10/h2-4H2,1H3,(H,11,13).
What are the key properties of N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 241.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).