5-methoxy-3-propyl-1,2,4-thiadiazole

C6H10N2OS — CID 89142868

IUPAC5-methoxy-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(OC)n1
InChIInChI=1S/C6H10N2OS/c1-3-4-5-7-6(9-2)10-8-5/h3-4H2,1-2H3
InChIKeyBENLXLDGRWCBCS-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.50
Rot. Bonds3

About 5-methoxy-3-propyl-1,2,4-thiadiazole

5-methoxy-3-propyl-1,2,4-thiadiazole (PubChem CID 89142868) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 5-methoxy-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methoxy-3-propyl-1,2,4-thiadiazole
PubChem CID89142868
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name5-methoxy-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(OC)n1
InChIInChI=1S/C6H10N2OS/c1-3-4-5-7-6(9-2)10-8-5/h3-4H2,1-2H3
InChIKeyBENLXLDGRWCBCS-UHFFFAOYSA-N
XLogP1.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-methoxy-3-propyl-1,2,4-thiadiazole (CID 89142868) is 5-methoxy-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-methoxy-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-methoxy-3-propyl-1,2,4-thiadiazole is CCCc1nsc(OC)n1.
What is the InChIKey of 5-methoxy-3-propyl-1,2,4-thiadiazole?
The InChIKey is BENLXLDGRWCBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-4-5-7-6(9-2)10-8-5/h3-4H2,1-2H3.
What are the key properties of 5-methoxy-3-propyl-1,2,4-thiadiazole?
5-methoxy-3-propyl-1,2,4-thiadiazole has a molecular weight of 158.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 89142868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).