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

C9H16N4S — CID 90141839

IUPAC3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H16N4S/c1-3-8-10-9(14-11-8)13-6-4-12(2)5-7-13/h3-7H2,1-2H3
InChIKeyFYCSGQPWJHOWEG-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.85
Rot. Bonds2

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

3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 90141839) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID90141839
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H16N4S/c1-3-8-10-9(14-11-8)13-6-4-12(2)5-7-13/h3-7H2,1-2H3
InChIKeyFYCSGQPWJHOWEG-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole (CID 90141839) is 3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole is CCc1nsc(N2CCN(C)CC2)n1.
What is the InChIKey of 3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is FYCSGQPWJHOWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-3-8-10-9(14-11-8)13-6-4-12(2)5-7-13/h3-7H2,1-2H3.
What are the key properties of 3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 212.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 90141839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).