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

C5H6F3N3OS — CID 62193318

IUPAC4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCC(F)(F)F
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)2-12-1-3-4(9)13-11-10-3/h1-2,9H2
InChIKeyOFXLIOKTBYURCV-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.20
Rot. Bonds3

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

4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine (PubChem CID 62193318) has the molecular formula C5H6F3N3OS and a molecular weight of 213.18 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine
PubChem CID62193318
Molecular FormulaC5H6F3N3OS
Molecular Weight213.18 g/mol
Exact Mass213.02
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCC(F)(F)F
InChIInChI=1S/C5H6F3N3OS/c6-5(7,8)2-12-1-3-4(9)13-11-10-3/h1-2,9H2
InChIKeyOFXLIOKTBYURCV-UHFFFAOYSA-N
XLogP1.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine (CID 62193318) is 4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine is Nc1snnc1COCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine?
The InChIKey is OFXLIOKTBYURCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3OS/c6-5(7,8)2-12-1-3-4(9)13-11-10-3/h1-2,9H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine?
4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine has a molecular weight of 213.18 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62193318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).