3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole

C9H16N4OS — CID 43949692

IUPAC3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESCCOc1nsnc1N1CCN(C)CC1
InChIInChI=1S/C9H16N4OS/c1-3-14-9-8(10-15-11-9)13-6-4-12(2)5-7-13/h3-7H2,1-2H3
InChIKeyUAILHLDQMAQJLY-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.69
Rot. Bonds3

About 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole

3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole (PubChem CID 43949692) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole
PubChem CID43949692
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESCCOc1nsnc1N1CCN(C)CC1
InChIInChI=1S/C9H16N4OS/c1-3-14-9-8(10-15-11-9)13-6-4-12(2)5-7-13/h3-7H2,1-2H3
InChIKeyUAILHLDQMAQJLY-UHFFFAOYSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole (CID 43949692) is 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole is CCOc1nsnc1N1CCN(C)CC1.
What is the InChIKey of 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole?
The InChIKey is UAILHLDQMAQJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-14-9-8(10-15-11-9)13-6-4-12(2)5-7-13/h3-7H2,1-2H3.
What are the key properties of 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole?
3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole has a molecular weight of 228.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 43949692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).