4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine

C9H6BrFN2S — CID 83913751

IUPAC4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine
SMILESNc1nsc(-c2ccccc2F)c1Br
InChIInChI=1S/C9H6BrFN2S/c10-7-8(14-13-9(7)12)5-3-1-2-4-6(5)11/h1-4H,(H2,12,13)
InChIKeyMLKKUWYQPPFSIY-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.29
Rot. Bonds1

About 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine

4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine (PubChem CID 83913751) has the molecular formula C9H6BrFN2S and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine
PubChem CID83913751
Molecular FormulaC9H6BrFN2S
Molecular Weight273.13 g/mol
Exact Mass271.94
IUPAC Name4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine
SMILESNc1nsc(-c2ccccc2F)c1Br
InChIInChI=1S/C9H6BrFN2S/c10-7-8(14-13-9(7)12)5-3-1-2-4-6(5)11/h1-4H,(H2,12,13)
InChIKeyMLKKUWYQPPFSIY-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine?
The IUPAC name of 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine (CID 83913751) is 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine is Nc1nsc(-c2ccccc2F)c1Br.
What is the InChIKey of 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine?
The InChIKey is MLKKUWYQPPFSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2S/c10-7-8(14-13-9(7)12)5-3-1-2-4-6(5)11/h1-4H,(H2,12,13).
What are the key properties of 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine?
4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine has a molecular weight of 273.13 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-fluorophenyl)-1,2-thiazol-3-amine is sourced from PubChem (CID 83913751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).