5-chloro-4-ethylthiadiazole

C4H5ClN2S — CID 20774364

IUPAC5-chloro-4-ethylthiadiazole
SMILESCCc1nnsc1Cl
InChIInChI=1S/C4H5ClN2S/c1-2-3-4(5)8-7-6-3/h2H2,1H3
InChIKeyPEBSXAVXZLIFQD-UHFFFAOYSA-N
MW148.62 g/mol
LogP1.75
Rot. Bonds1

About 5-chloro-4-ethylthiadiazole

5-chloro-4-ethylthiadiazole (PubChem CID 20774364) has the molecular formula C4H5ClN2S and a molecular weight of 148.62 g/mol. Its IUPAC name is 5-chloro-4-ethylthiadiazole.

Molecular Properties

Compound Name5-chloro-4-ethylthiadiazole
PubChem CID20774364
Molecular FormulaC4H5ClN2S
Molecular Weight148.62 g/mol
Exact Mass147.99
IUPAC Name5-chloro-4-ethylthiadiazole
SMILESCCc1nnsc1Cl
InChIInChI=1S/C4H5ClN2S/c1-2-3-4(5)8-7-6-3/h2H2,1H3
InChIKeyPEBSXAVXZLIFQD-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethylthiadiazole?
The IUPAC name of 5-chloro-4-ethylthiadiazole (CID 20774364) is 5-chloro-4-ethylthiadiazole.
What is the SMILES notation for 5-chloro-4-ethylthiadiazole?
The canonical SMILES for 5-chloro-4-ethylthiadiazole is CCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-ethylthiadiazole?
The InChIKey is PEBSXAVXZLIFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S/c1-2-3-4(5)8-7-6-3/h2H2,1H3.
What are the key properties of 5-chloro-4-ethylthiadiazole?
5-chloro-4-ethylthiadiazole has a molecular weight of 148.62 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethylthiadiazole is sourced from PubChem (CID 20774364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).