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

C10H5Br2F3N2S — CID 114043481

IUPAC4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Br)c(Nc2nc(Br)cs2)c1
InChIInChI=1S/C10H5Br2F3N2S/c11-6-2-1-5(10(13,14)15)3-7(6)16-9-17-8(12)4-18-9/h1-4H,(H,16,17)
InChIKeyAMSGTARXNULOSD-UHFFFAOYSA-N
MW402.03 g/mol
LogP5.43
Rot. Bonds2

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

4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 114043481) has the molecular formula C10H5Br2F3N2S and a molecular weight of 402.03 g/mol. Its IUPAC name is 4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID114043481
Molecular FormulaC10H5Br2F3N2S
Molecular Weight402.03 g/mol
Exact Mass399.85
IUPAC Name4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Br)c(Nc2nc(Br)cs2)c1
InChIInChI=1S/C10H5Br2F3N2S/c11-6-2-1-5(10(13,14)15)3-7(6)16-9-17-8(12)4-18-9/h1-4H,(H,16,17)
InChIKeyAMSGTARXNULOSD-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.03
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 114043481) is 4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc(Br)c(Nc2nc(Br)cs2)c1.
What is the InChIKey of 4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is AMSGTARXNULOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2F3N2S/c11-6-2-1-5(10(13,14)15)3-7(6)16-9-17-8(12)4-18-9/h1-4H,(H,16,17).
What are the key properties of 4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-bromo-N-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 402.03 g/mol, XLogP of 5.43, 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-bromo-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 114043481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).