3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole

C10H18N4S — CID 23303067

IUPAC3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCCCN1CCN(c2ncsn2)CC1
InChIInChI=1S/C10H18N4S/c1-2-3-4-13-5-7-14(8-6-13)10-11-9-15-12-10/h9H,2-8H2,1H3
InChIKeyMMUVBLTXDLEBTF-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.46
Rot. Bonds4

About 3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole

3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 23303067) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID23303067
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCCCN1CCN(c2ncsn2)CC1
InChIInChI=1S/C10H18N4S/c1-2-3-4-13-5-7-14(8-6-13)10-11-9-15-12-10/h9H,2-8H2,1H3
InChIKeyMMUVBLTXDLEBTF-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-butylpiperazin-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-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole (CID 23303067) is 3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole is CCCCN1CCN(c2ncsn2)CC1.
What is the InChIKey of 3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is MMUVBLTXDLEBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-3-4-13-5-7-14(8-6-13)10-11-9-15-12-10/h9H,2-8H2,1H3.
What are the key properties of 3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole?
3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 226.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 23303067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).