5-(chloromethyl)-3-methyl-1,2,4-thiadiazole

C4H5ClN2S — CID 18411630

IUPAC5-(chloromethyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(CCl)n1
InChIInChI=1S/C4H5ClN2S/c1-3-6-4(2-5)8-7-3/h2H2,1H3
InChIKeyDJJZSIWREROECK-UHFFFAOYSA-N
MW148.62 g/mol
LogP1.59
Rot. Bonds1

About 5-(chloromethyl)-3-methyl-1,2,4-thiadiazole

5-(chloromethyl)-3-methyl-1,2,4-thiadiazole (PubChem CID 18411630) has the molecular formula C4H5ClN2S and a molecular weight of 148.62 g/mol. Its IUPAC name is 5-(chloromethyl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-methyl-1,2,4-thiadiazole
PubChem CID18411630
Molecular FormulaC4H5ClN2S
Molecular Weight148.62 g/mol
Exact Mass147.99
IUPAC Name5-(chloromethyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(CCl)n1
InChIInChI=1S/C4H5ClN2S/c1-3-6-4(2-5)8-7-3/h2H2,1H3
InChIKeyDJJZSIWREROECK-UHFFFAOYSA-N
XLogP1.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.62
LogP ≤ 51.59
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-(chloromethyl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(chloromethyl)-3-methyl-1,2,4-thiadiazole (CID 18411630) is 5-(chloromethyl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(chloromethyl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is DJJZSIWREROECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S/c1-3-6-4(2-5)8-7-3/h2H2,1H3.
What are the key properties of 5-(chloromethyl)-3-methyl-1,2,4-thiadiazole?
5-(chloromethyl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 148.62 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 18411630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).