N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine

C9H7BrFN3S — CID 115924514

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cc(CNc2nncs2)ccc1Br
InChIInChI=1S/C9H7BrFN3S/c10-7-2-1-6(3-8(7)11)4-12-9-14-13-5-15-9/h1-3,5H,4H2,(H,12,14)
InChIKeyQDEDNCMZKXGGHA-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.05
Rot. Bonds3

About N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine

N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 115924514) has the molecular formula C9H7BrFN3S and a molecular weight of 288.15 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID115924514
Molecular FormulaC9H7BrFN3S
Molecular Weight288.15 g/mol
Exact Mass286.95
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cc(CNc2nncs2)ccc1Br
InChIInChI=1S/C9H7BrFN3S/c10-7-2-1-6(3-8(7)11)4-12-9-14-13-5-15-9/h1-3,5H,4H2,(H,12,14)
InChIKeyQDEDNCMZKXGGHA-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 83296865
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648578
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
CID 107587862
N-[[4-(chloromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 107233099
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 78982895
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
N-[(4-bromo-3-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 81436731
CID 171612017
CID 171612017
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 115924514) is N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is Fc1cc(CNc2nncs2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QDEDNCMZKXGGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3S/c10-7-2-1-6(3-8(7)11)4-12-9-14-13-5-15-9/h1-3,5H,4H2,(H,12,14).
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 288.15 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115924514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).