N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine

C4H5F2N3S — CID 115407570

IUPACN-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)CNc1nncs1
InChIInChI=1S/C4H5F2N3S/c5-3(6)1-7-4-9-8-2-10-4/h2-3H,1H2,(H,7,9)
InChIKeyVJVPNCHKAPVHCU-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.22
Rot. Bonds3

About N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine

N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 115407570) has the molecular formula C4H5F2N3S and a molecular weight of 165.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine
PubChem CID115407570
Molecular FormulaC4H5F2N3S
Molecular Weight165.17 g/mol
Exact Mass165.02
IUPAC NameN-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)CNc1nncs1
InChIInChI=1S/C4H5F2N3S/c5-3(6)1-7-4-9-8-2-10-4/h2-3H,1H2,(H,7,9)
InChIKeyVJVPNCHKAPVHCU-UHFFFAOYSA-N
XLogP1.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine (CID 115407570) is N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine is FC(F)CNc1nncs1.
What is the InChIKey of N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VJVPNCHKAPVHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3S/c5-3(6)1-7-4-9-8-2-10-4/h2-3H,1H2,(H,7,9).
What are the key properties of N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine?
N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 165.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115407570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).