5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine

C9H7BrFN3OS — CID 114676642

IUPAC5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2cc(Br)ccc2F)s1
InChIInChI=1S/C9H7BrFN3OS/c10-5-1-2-6(11)7(3-5)15-4-8-13-14-9(12)16-8/h1-3H,4H2,(H2,12,14)
InChIKeyPKTMSHSHFHBRNB-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.60
Rot. Bonds3

About 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine

5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 114676642) has the molecular formula C9H7BrFN3OS and a molecular weight of 304.14 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID114676642
Molecular FormulaC9H7BrFN3OS
Molecular Weight304.14 g/mol
Exact Mass302.95
IUPAC Name5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2cc(Br)ccc2F)s1
InChIInChI=1S/C9H7BrFN3OS/c10-5-1-2-6(11)7(3-5)15-4-8-13-14-9(12)16-8/h1-3H,4H2,(H2,12,14)
InChIKeyPKTMSHSHFHBRNB-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

5-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608673
2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
CID 113353826
5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 82832131
5-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]-1,3,4-thiadiazol-2-amine
CID 102747332
5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779
2-[(5-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 114671796
5-[(2,4-ditert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 7139278
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114676838
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
5-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879958
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine (CID 114676642) is 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(COc2cc(Br)ccc2F)s1.
What is the InChIKey of 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PKTMSHSHFHBRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3OS/c10-5-1-2-6(11)7(3-5)15-4-8-13-14-9(12)16-8/h1-3H,4H2,(H2,12,14).
What are the key properties of 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-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 5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114676642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).