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

C9H7BrFN3S — CID 107234481

IUPACN-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine
SMILESFc1cc(Br)ccc1CNc1cnns1
InChIInChI=1S/C9H7BrFN3S/c10-7-2-1-6(8(11)3-7)4-12-9-5-13-14-15-9/h1-3,5,12H,4H2
InChIKeyKISQTNHBRACISG-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.05
Rot. Bonds3

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

N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine (PubChem CID 107234481) has the molecular formula C9H7BrFN3S and a molecular weight of 288.15 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine
PubChem CID107234481
Molecular FormulaC9H7BrFN3S
Molecular Weight288.15 g/mol
Exact Mass286.95
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine
SMILESFc1cc(Br)ccc1CNc1cnns1
InChIInChI=1S/C9H7BrFN3S/c10-7-2-1-6(8(11)3-7)4-12-9-5-13-14-15-9/h1-3,5,12H,4H2
InChIKeyKISQTNHBRACISG-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-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine
CID 149012639
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812048
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
N-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyrimidin-2-amine
CID 133309861
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloropyridin-3-amine
CID 43689958
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
CID 115733345
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
CID 62522578

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine (CID 107234481) is N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine is Fc1cc(Br)ccc1CNc1cnns1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine?
The InChIKey is KISQTNHBRACISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3S/c10-7-2-1-6(8(11)3-7)4-12-9-5-13-14-15-9/h1-3,5,12H,4H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine?
N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-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-2-fluorophenyl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107234481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).