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

C8H11F2N3OS — CID 82007108

IUPACN-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)COc1nnc(CNC2CC2)s1
InChIInChI=1S/C8H11F2N3OS/c9-6(10)4-14-8-13-12-7(15-8)3-11-5-1-2-5/h5-6,11H,1-4H2
InChIKeyVKFFAIYOUXMXNJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.43
Rot. Bonds6

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

N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 82007108) has the molecular formula C8H11F2N3OS and a molecular weight of 235.26 g/mol. Its IUPAC name is N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID82007108
Molecular FormulaC8H11F2N3OS
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC NameN-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)COc1nnc(CNC2CC2)s1
InChIInChI=1S/C8H11F2N3OS/c9-6(10)4-14-8-13-12-7(15-8)3-11-5-1-2-5/h5-6,11H,1-4H2
InChIKeyVKFFAIYOUXMXNJ-UHFFFAOYSA-N
XLogP1.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.43
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-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 82007108) is N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is FC(F)COc1nnc(CNC2CC2)s1.
What is the InChIKey of N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is VKFFAIYOUXMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3OS/c9-6(10)4-14-8-13-12-7(15-8)3-11-5-1-2-5/h5-6,11H,1-4H2.
What are the key properties of N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 235.26 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82007108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).