4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine

C9H4BrCl2FN2S — CID 83078829

IUPAC4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1cc(Cl)c(Nc2nc(Br)cs2)c(Cl)c1
InChIInChI=1S/C9H4BrCl2FN2S/c10-7-3-16-9(14-7)15-8-5(11)1-4(13)2-6(8)12/h1-3H,(H,14,15)
InChIKeyBSBFKMNPKRPNTK-UHFFFAOYSA-N
MW342.02 g/mol
LogP5.10
Rot. Bonds2

About 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine

4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 83078829) has the molecular formula C9H4BrCl2FN2S and a molecular weight of 342.02 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID83078829
Molecular FormulaC9H4BrCl2FN2S
Molecular Weight342.02 g/mol
Exact Mass339.86
IUPAC Name4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1cc(Cl)c(Nc2nc(Br)cs2)c(Cl)c1
InChIInChI=1S/C9H4BrCl2FN2S/c10-7-3-16-9(14-7)15-8-5(11)1-4(13)2-6(8)12/h1-3H,(H,14,15)
InChIKeyBSBFKMNPKRPNTK-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.02
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine (CID 83078829) is 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine is Fc1cc(Cl)c(Nc2nc(Br)cs2)c(Cl)c1.
What is the InChIKey of 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is BSBFKMNPKRPNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2FN2S/c10-7-3-16-9(14-7)15-8-5(11)1-4(13)2-6(8)12/h1-3H,(H,14,15).
What are the key properties of 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine?
4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 342.02 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dichloro-4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83078829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).