4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C16H9Br2F3N2S — CID 102103805

IUPAC4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Br)cc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C16H9Br2F3N2S/c17-11-3-1-9(2-4-11)14-8-24-15(23-14)22-13-6-10(16(19,20)21)5-12(18)7-13/h1-8H,(H,22,23)
InChIKeyUWJZTSVVXKNGNG-UHFFFAOYSA-N
MW478.13 g/mol
LogP7.10
Rot. Bonds3

About 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 102103805) has the molecular formula C16H9Br2F3N2S and a molecular weight of 478.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID102103805
Molecular FormulaC16H9Br2F3N2S
Molecular Weight478.13 g/mol
Exact Mass475.88
IUPAC Name4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Br)cc(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C16H9Br2F3N2S/c17-11-3-1-9(2-4-11)14-8-24-15(23-14)22-13-6-10(16(19,20)21)5-12(18)7-13/h1-8H,(H,22,23)
InChIKeyUWJZTSVVXKNGNG-UHFFFAOYSA-N
XLogP7.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.13
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 102103805) is 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cc(Br)cc(Nc2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is UWJZTSVVXKNGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2F3N2S/c17-11-3-1-9(2-4-11)14-8-24-15(23-14)22-13-6-10(16(19,20)21)5-12(18)7-13/h1-8H,(H,22,23).
What are the key properties of 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 478.13 g/mol, XLogP of 7.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 102103805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).