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

C8H10F3N3OS — CID 80624088

IUPACN-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COc1nnc(CNC2CC2)s1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)4-15-7-14-13-6(16-7)3-12-5-1-2-5/h5,12H,1-4H2
InChIKeyGHXLUSYXFCRQNY-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.73
Rot. Bonds5

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

N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 80624088) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID80624088
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COc1nnc(CNC2CC2)s1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)4-15-7-14-13-6(16-7)3-12-5-1-2-5/h5,12H,1-4H2
InChIKeyGHXLUSYXFCRQNY-UHFFFAOYSA-N
XLogP1.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 80624088) is N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is FC(F)(F)COc1nnc(CNC2CC2)s1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is GHXLUSYXFCRQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)4-15-7-14-13-6(16-7)3-12-5-1-2-5/h5,12H,1-4H2.
What are the key properties of N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 253.25 g/mol, XLogP of 1.73, 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]cyclopropanamine is sourced from PubChem (CID 80624088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).