4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol

C12H9BrFNOS — CID 167489335

IUPAC4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol
SMILESOc1ccc(-c2nc(Br)sc2C2CC2)c(F)c1
InChIInChI=1S/C12H9BrFNOS/c13-12-15-10(11(17-12)6-1-2-6)8-4-3-7(16)5-9(8)14/h3-6,16H,1-2H2
InChIKeyDJDYGSUHDMFFRT-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.29
Rot. Bonds2

About 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol

4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol (PubChem CID 167489335) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol.

Molecular Properties

Compound Name4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol
PubChem CID167489335
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol
SMILESOc1ccc(-c2nc(Br)sc2C2CC2)c(F)c1
InChIInChI=1S/C12H9BrFNOS/c13-12-15-10(11(17-12)6-1-2-6)8-4-3-7(16)5-9(8)14/h3-6,16H,1-2H2
InChIKeyDJDYGSUHDMFFRT-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol 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-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol?
The IUPAC name of 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol (CID 167489335) is 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol.
What is the SMILES notation for 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol?
The canonical SMILES for 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol is Oc1ccc(-c2nc(Br)sc2C2CC2)c(F)c1.
What is the InChIKey of 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol?
The InChIKey is DJDYGSUHDMFFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c13-12-15-10(11(17-12)6-1-2-6)8-4-3-7(16)5-9(8)14/h3-6,16H,1-2H2.
What are the key properties of 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol?
4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol has a molecular weight of 314.18 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-cyclopropyl-1,3-thiazol-4-yl)-3-fluorophenol is sourced from PubChem (CID 167489335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).