3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole

C8H11ClN2S — CID 130871474

IUPAC3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole
SMILESClCC1(Cc2cnsn2)CCC1
InChIInChI=1S/C8H11ClN2S/c9-6-8(2-1-3-8)4-7-5-10-12-11-7/h5H,1-4,6H2
InChIKeyZDQOJAIXFNREEQ-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.49
Rot. Bonds3

About 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole

3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole (PubChem CID 130871474) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole
PubChem CID130871474
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole
SMILESClCC1(Cc2cnsn2)CCC1
InChIInChI=1S/C8H11ClN2S/c9-6-8(2-1-3-8)4-7-5-10-12-11-7/h5H,1-4,6H2
InChIKeyZDQOJAIXFNREEQ-UHFFFAOYSA-N
XLogP2.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole 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-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole?
The IUPAC name of 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole (CID 130871474) is 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole is ClCC1(Cc2cnsn2)CCC1.
What is the InChIKey of 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole?
The InChIKey is ZDQOJAIXFNREEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c9-6-8(2-1-3-8)4-7-5-10-12-11-7/h5H,1-4,6H2.
What are the key properties of 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole?
3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole has a molecular weight of 202.71 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole is sourced from PubChem (CID 130871474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).