2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine

C5H7F2N3S — CID 115406965

IUPAC2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1cnsn1
InChIInChI=1S/C5H7F2N3S/c6-5(7)3-8-1-4-2-9-11-10-4/h2,5,8H,1,3H2
InChIKeyIWKGDPFYMUADFP-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.89
Rot. Bonds4

About 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine

2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine (PubChem CID 115406965) has the molecular formula C5H7F2N3S and a molecular weight of 179.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
PubChem CID115406965
Molecular FormulaC5H7F2N3S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1cnsn1
InChIInChI=1S/C5H7F2N3S/c6-5(7)3-8-1-4-2-9-11-10-4/h2,5,8H,1,3H2
InChIKeyIWKGDPFYMUADFP-UHFFFAOYSA-N
XLogP0.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine (CID 115406965) is 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine is FC(F)CNCc1cnsn1.
What is the InChIKey of 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
The InChIKey is IWKGDPFYMUADFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3S/c6-5(7)3-8-1-4-2-9-11-10-4/h2,5,8H,1,3H2.
What are the key properties of 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine?
2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine has a molecular weight of 179.20 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1,2,5-thiadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 115406965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).