6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole

C7H8FN3OS — CID 123292439

IUPAC6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOCc1nn2cc(CF)nc2s1
InChIInChI=1S/C7H8FN3OS/c1-12-4-6-10-11-3-5(2-8)9-7(11)13-6/h3H,2,4H2,1H3
InChIKeyUFXXQSDDUQAYFY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.41
Rot. Bonds3

About 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole

6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 123292439) has the molecular formula C7H8FN3OS and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID123292439
Molecular FormulaC7H8FN3OS
Molecular Weight201.23 g/mol
Exact Mass201.04
IUPAC Name6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOCc1nn2cc(CF)nc2s1
InChIInChI=1S/C7H8FN3OS/c1-12-4-6-10-11-3-5(2-8)9-7(11)13-6/h3H,2,4H2,1H3
InChIKeyUFXXQSDDUQAYFY-UHFFFAOYSA-N
XLogP1.41
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 123292439) is 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole is COCc1nn2cc(CF)nc2s1.
What is the InChIKey of 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is UFXXQSDDUQAYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3OS/c1-12-4-6-10-11-3-5(2-8)9-7(11)13-6/h3H,2,4H2,1H3.
What are the key properties of 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 201.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 123292439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).