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

C9H6BrFN2S — CID 112562188

IUPAC4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(F)c2Br)cs1
InChIInChI=1S/C9H6BrFN2S/c10-8-5(2-1-3-6(8)11)7-4-14-9(12)13-7/h1-4H,(H2,12,13)
InChIKeyFYCQETRXDOULMD-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.29
Rot. Bonds1

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

4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 112562188) has the molecular formula C9H6BrFN2S and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID112562188
Molecular FormulaC9H6BrFN2S
Molecular Weight273.13 g/mol
Exact Mass271.94
IUPAC Name4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(F)c2Br)cs1
InChIInChI=1S/C9H6BrFN2S/c10-8-5(2-1-3-6(8)11)7-4-14-9(12)13-7/h1-4H,(H2,12,13)
InChIKeyFYCQETRXDOULMD-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

Analyze 4-(2-bromo-3-fluorophenyl)-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-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine (CID 112562188) is 4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2cccc(F)c2Br)cs1.
What is the InChIKey of 4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is FYCQETRXDOULMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2S/c10-8-5(2-1-3-6(8)11)7-4-14-9(12)13-7/h1-4H,(H2,12,13).
What are the key properties of 4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine?
4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-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-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112562188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).