4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine

C9H7BrFN3OS — CID 81325764

IUPAC4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1cc(F)cc(Br)c1
InChIInChI=1S/C9H7BrFN3OS/c10-5-1-6(11)3-7(2-5)15-4-8-9(12)16-14-13-8/h1-3H,4,12H2
InChIKeyGWAWASXGSZNXGI-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.60
Rot. Bonds3

About 4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine

4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine (PubChem CID 81325764) has the molecular formula C9H7BrFN3OS and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine
PubChem CID81325764
Molecular FormulaC9H7BrFN3OS
Molecular Weight304.14 g/mol
Exact Mass302.95
IUPAC Name4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine
SMILESNc1snnc1COc1cc(F)cc(Br)c1
InChIInChI=1S/C9H7BrFN3OS/c10-5-1-6(11)3-7(2-5)15-4-8-9(12)16-14-13-8/h1-3H,4,12H2
InChIKeyGWAWASXGSZNXGI-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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Related Compounds

4-[(3-bromophenoxy)methyl]thiadiazol-5-amine
CID 62193534
4-[(2,4,6-tribromophenoxy)methyl]thiadiazol-5-amine
CID 62193307
4-[(5-bromo-2-methylphenoxy)methyl]thiadiazol-5-amine
CID 107285489
4-[(4,5-difluoro-2-methylphenoxy)methyl]thiadiazol-5-amine
CID 114276784
O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride
CID 162421956
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 113303014
4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine
CID 55044701
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 81331646
[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114175
1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
CID 81332352
4-[(3-bromo-5-nitrophenoxy)methyl]-5-chlorothiadiazole
CID 103588537
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine (CID 81325764) is 4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine is Nc1snnc1COc1cc(F)cc(Br)c1.
What is the InChIKey of 4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine?
The InChIKey is GWAWASXGSZNXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3OS/c10-5-1-6(11)3-7(2-5)15-4-8-9(12)16-14-13-8/h1-3H,4,12H2.
What are the key properties of 4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine?
4-[(3-bromo-5-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-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 81325764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).