5-(bromomethyl)-4-methylthiadiazole

C4H5BrN2S — CID 12913692

IUPAC5-(bromomethyl)-4-methylthiadiazole
SMILESCc1nnsc1CBr
InChIInChI=1S/C4H5BrN2S/c1-3-4(2-5)8-7-6-3/h2H2,1H3
InChIKeyCDBIXXJBMJZTRZ-UHFFFAOYSA-N
MW193.07 g/mol
LogP1.74
Rot. Bonds1

About 5-(bromomethyl)-4-methylthiadiazole

5-(bromomethyl)-4-methylthiadiazole (PubChem CID 12913692) has the molecular formula C4H5BrN2S and a molecular weight of 193.07 g/mol. Its IUPAC name is 5-(bromomethyl)-4-methylthiadiazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-methylthiadiazole
PubChem CID12913692
Molecular FormulaC4H5BrN2S
Molecular Weight193.07 g/mol
Exact Mass191.94
IUPAC Name5-(bromomethyl)-4-methylthiadiazole
SMILESCc1nnsc1CBr
InChIInChI=1S/C4H5BrN2S/c1-3-4(2-5)8-7-6-3/h2H2,1H3
InChIKeyCDBIXXJBMJZTRZ-UHFFFAOYSA-N
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 51.74
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 5-(bromomethyl)-4-methylthiadiazole?
The IUPAC name of 5-(bromomethyl)-4-methylthiadiazole (CID 12913692) is 5-(bromomethyl)-4-methylthiadiazole.
What is the SMILES notation for 5-(bromomethyl)-4-methylthiadiazole?
The canonical SMILES for 5-(bromomethyl)-4-methylthiadiazole is Cc1nnsc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-methylthiadiazole?
The InChIKey is CDBIXXJBMJZTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2S/c1-3-4(2-5)8-7-6-3/h2H2,1H3.
What are the key properties of 5-(bromomethyl)-4-methylthiadiazole?
5-(bromomethyl)-4-methylthiadiazole has a molecular weight of 193.07 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-methylthiadiazole is sourced from PubChem (CID 12913692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).