N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

C9H7BrFN3S — CID 65276486

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(Br)cc1CNc1ncns1
InChIInChI=1S/C9H7BrFN3S/c10-7-1-2-8(11)6(3-7)4-12-9-13-5-14-15-9/h1-3,5H,4H2,(H,12,13,14)
InChIKeyISAQCVZDIVXWBL-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.05
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65276486) has the molecular formula C9H7BrFN3S and a molecular weight of 288.15 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65276486
Molecular FormulaC9H7BrFN3S
Molecular Weight288.15 g/mol
Exact Mass286.95
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(Br)cc1CNc1ncns1
InChIInChI=1S/C9H7BrFN3S/c10-7-1-2-8(11)6(3-7)4-12-9-13-5-14-15-9/h1-3,5H,4H2,(H,12,13,14)
InChIKeyISAQCVZDIVXWBL-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65276486) is N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is Fc1ccc(Br)cc1CNc1ncns1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ISAQCVZDIVXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3S/c10-7-1-2-8(11)6(3-7)4-12-9-13-5-14-15-9/h1-3,5H,4H2,(H,12,13,14).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-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-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).