4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine

C5H7F2N3OS — CID 82007216

IUPAC4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCC(F)F
InChIInChI=1S/C5H7F2N3OS/c6-4(7)2-11-1-3-5(8)12-10-9-3/h4H,1-2,8H2
InChIKeyQUHDINLJFNSENW-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.90
Rot. Bonds4

About 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine

4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine (PubChem CID 82007216) has the molecular formula C5H7F2N3OS and a molecular weight of 195.19 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine
PubChem CID82007216
Molecular FormulaC5H7F2N3OS
Molecular Weight195.19 g/mol
Exact Mass195.03
IUPAC Name4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCC(F)F
InChIInChI=1S/C5H7F2N3OS/c6-4(7)2-11-1-3-5(8)12-10-9-3/h4H,1-2,8H2
InChIKeyQUHDINLJFNSENW-UHFFFAOYSA-N
XLogP0.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine (CID 82007216) is 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine is Nc1snnc1COCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine?
The InChIKey is QUHDINLJFNSENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3OS/c6-4(7)2-11-1-3-5(8)12-10-9-3/h4H,1-2,8H2.
What are the key properties of 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine?
4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine has a molecular weight of 195.19 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 82007216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).