5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole

C5H4BrF2NOS — CID 154635788

IUPAC5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole
SMILESFC(F)OCc1ncc(Br)s1
InChIInChI=1S/C5H4BrF2NOS/c6-3-1-9-4(11-3)2-10-5(7)8/h1,5H,2H2
InChIKeyGUBGEJNBLNIRLB-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.64
Rot. Bonds3

About 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole

5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole (PubChem CID 154635788) has the molecular formula C5H4BrF2NOS and a molecular weight of 244.06 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole
PubChem CID154635788
Molecular FormulaC5H4BrF2NOS
Molecular Weight244.06 g/mol
Exact Mass242.92
IUPAC Name5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole
SMILESFC(F)OCc1ncc(Br)s1
InChIInChI=1S/C5H4BrF2NOS/c6-3-1-9-4(11-3)2-10-5(7)8/h1,5H,2H2
InChIKeyGUBGEJNBLNIRLB-UHFFFAOYSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole 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 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole (CID 154635788) is 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole is FC(F)OCc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole?
The InChIKey is GUBGEJNBLNIRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2NOS/c6-3-1-9-4(11-3)2-10-5(7)8/h1,5H,2H2.
What are the key properties of 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole?
5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole has a molecular weight of 244.06 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 154635788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).