4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine

C9H7BrFN3OS — CID 62193268

IUPAC4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1ccc(Br)cc1F
InChIInChI=1S/C9H7BrFN3OS/c10-5-1-2-8(6(11)3-5)15-4-7-9(12)16-14-13-7/h1-3H,4,12H2
InChIKeyCHRXMTHUKBQMDY-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.60
Rot. Bonds3

About 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine

4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine (PubChem CID 62193268) has the molecular formula C9H7BrFN3OS and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine
PubChem CID62193268
Molecular FormulaC9H7BrFN3OS
Molecular Weight304.14 g/mol
Exact Mass302.95
IUPAC Name4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1ccc(Br)cc1F
InChIInChI=1S/C9H7BrFN3OS/c10-5-1-2-8(6(11)3-5)15-4-7-9(12)16-14-13-7/h1-3H,4,12H2
InChIKeyCHRXMTHUKBQMDY-UHFFFAOYSA-N
XLogP2.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine (CID 62193268) is 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine is Nc1snnc1COc1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine?
The InChIKey is CHRXMTHUKBQMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3OS/c10-5-1-2-8(6(11)3-5)15-4-7-9(12)16-14-13-7/h1-3H,4,12H2.
What are the key properties of 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine?
4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine has a molecular weight of 304.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62193268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).