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

C6H9ClN2OS — CID 65267362

IUPAC5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole
SMILESCCCOCc1nsc(Cl)n1
InChIInChI=1S/C6H9ClN2OS/c1-2-3-10-4-5-8-6(7)11-9-5/h2-4H2,1H3
InChIKeyKBEAPPMWNYYWJV-UHFFFAOYSA-N
MW192.67 g/mol
LogP2.12
Rot. Bonds4

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

5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole (PubChem CID 65267362) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole
PubChem CID65267362
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole
SMILESCCCOCc1nsc(Cl)n1
InChIInChI=1S/C6H9ClN2OS/c1-2-3-10-4-5-8-6(7)11-9-5/h2-4H2,1H3
InChIKeyKBEAPPMWNYYWJV-UHFFFAOYSA-N
XLogP2.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole (CID 65267362) is 5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole is CCCOCc1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole?
The InChIKey is KBEAPPMWNYYWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS/c1-2-3-10-4-5-8-6(7)11-9-5/h2-4H2,1H3.
What are the key properties of 5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole?
5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole has a molecular weight of 192.67 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(propoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 65267362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).