4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one

C9H8BrF3N2OS — CID 168506280

IUPAC4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H8BrF3N2OS/c10-2-5-1-7(16)15(3-5)8-14-6(4-17-8)9(11,12)13/h4-5H,1-3H2
InChIKeyRMFOKFBALYMSEH-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.91
Rot. Bonds2

About 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one

4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 168506280) has the molecular formula C9H8BrF3N2OS and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID168506280
Molecular FormulaC9H8BrF3N2OS
Molecular Weight329.14 g/mol
Exact Mass327.95
IUPAC Name4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H8BrF3N2OS/c10-2-5-1-7(16)15(3-5)8-14-6(4-17-8)9(11,12)13/h4-5H,1-3H2
InChIKeyRMFOKFBALYMSEH-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one 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-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 168506280) is 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is O=C1CC(CBr)CN1c1nc(C(F)(F)F)cs1.
What is the InChIKey of 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is RMFOKFBALYMSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2OS/c10-2-5-1-7(16)15(3-5)8-14-6(4-17-8)9(11,12)13/h4-5H,1-3H2.
What are the key properties of 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 329.14 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168506280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).