4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole

C8H11ClN2S — CID 130550088

IUPAC4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole
SMILESClCC1(Cc2csnn2)CCC1
InChIInChI=1S/C8H11ClN2S/c9-6-8(2-1-3-8)4-7-5-12-11-10-7/h5H,1-4,6H2
InChIKeyDUVLJRCLHZXINR-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.49
Rot. Bonds3

About 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole

4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole (PubChem CID 130550088) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole.

Molecular Properties

Compound Name4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole
PubChem CID130550088
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole
SMILESClCC1(Cc2csnn2)CCC1
InChIInChI=1S/C8H11ClN2S/c9-6-8(2-1-3-8)4-7-5-12-11-10-7/h5H,1-4,6H2
InChIKeyDUVLJRCLHZXINR-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole?
The IUPAC name of 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole (CID 130550088) is 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole.
What is the SMILES notation for 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole?
The canonical SMILES for 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole is ClCC1(Cc2csnn2)CCC1.
What is the InChIKey of 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole?
The InChIKey is DUVLJRCLHZXINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c9-6-8(2-1-3-8)4-7-5-12-11-10-7/h5H,1-4,6H2.
What are the key properties of 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole?
4-[[1-(chloromethyl)cyclobutyl]methyl]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 4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole is sourced from PubChem (CID 130550088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).