5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole

C5H7ClN2OS — CID 46318478

IUPAC5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(Cl)n1
InChIInChI=1S/C5H7ClN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyMKAOOWRIYBWSMA-UHFFFAOYSA-N
MW178.64 g/mol
LogP1.38
Rot. Bonds3

About 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole

5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 46318478) has the molecular formula C5H7ClN2OS and a molecular weight of 178.64 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID46318478
Molecular FormulaC5H7ClN2OS
Molecular Weight178.64 g/mol
Exact Mass178.00
IUPAC Name5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(Cl)n1
InChIInChI=1S/C5H7ClN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3
InChIKeyMKAOOWRIYBWSMA-UHFFFAOYSA-N
XLogP1.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 46318478) is 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is MKAOOWRIYBWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2OS/c1-9-3-2-4-7-5(6)10-8-4/h2-3H2,1H3.
What are the key properties of 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 178.64 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 46318478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).