3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione

C10H14BrNO2S — CID 65001169

IUPAC3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CC1(CBr)CCCC1
InChIInChI=1S/C10H14BrNO2S/c11-6-10(3-1-2-4-10)7-12-8(13)5-15-9(12)14/h1-7H2
InChIKeyDZUYHRYPAMIBLW-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.64
Rot. Bonds3

About 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione

3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 65001169) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID65001169
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CC1(CBr)CCCC1
InChIInChI=1S/C10H14BrNO2S/c11-6-10(3-1-2-4-10)7-12-8(13)5-15-9(12)14/h1-7H2
InChIKeyDZUYHRYPAMIBLW-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione 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 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione (CID 65001169) is 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CC1(CBr)CCCC1.
What is the InChIKey of 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is DZUYHRYPAMIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c11-6-10(3-1-2-4-10)7-12-8(13)5-15-9(12)14/h1-7H2.
What are the key properties of 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione?
3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 292.20 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 3-[[1-(bromomethyl)cyclopentyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 65001169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).