3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole

C14H25N5S — CID 120901026

IUPAC3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CC3(C)CCNC3)CC2)n1
InChIInChI=1S/C14H25N5S/c1-3-12-16-13(20-17-12)19-8-6-18(7-9-19)11-14(2)4-5-15-10-14/h15H,3-11H2,1-2H3
InChIKeyQLOOACUBAWDYFY-UHFFFAOYSA-N
MW295.46 g/mol
LogP1.22
Rot. Bonds4

About 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 120901026) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID120901026
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CC3(C)CCNC3)CC2)n1
InChIInChI=1S/C14H25N5S/c1-3-12-16-13(20-17-12)19-8-6-18(7-9-19)11-14(2)4-5-15-10-14/h15H,3-11H2,1-2H3
InChIKeyQLOOACUBAWDYFY-UHFFFAOYSA-N
XLogP1.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole (CID 120901026) is 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCN(CC3(C)CCNC3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is QLOOACUBAWDYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-3-12-16-13(20-17-12)19-8-6-18(7-9-19)11-14(2)4-5-15-10-14/h15H,3-11H2,1-2H3.
What are the key properties of 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 295.46 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 120901026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).