2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole

C13H17N5S — CID 75450327

IUPAC2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C13H17N5S/c1-2-17-7-9-18(10-8-17)13-16-15-12(19-13)11-5-3-4-6-14-11/h3-6H,2,7-10H2,1H3
InChIKeyZGKSAURRSSFAEP-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole

2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole (PubChem CID 75450327) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
PubChem CID75450327
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C13H17N5S/c1-2-17-7-9-18(10-8-17)13-16-15-12(19-13)11-5-3-4-6-14-11/h3-6H,2,7-10H2,1H3
InChIKeyZGKSAURRSSFAEP-UHFFFAOYSA-N
XLogP1.74
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-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 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole (CID 75450327) is 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole is CCN1CCN(c2nnc(-c3ccccn3)s2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
The InChIKey is ZGKSAURRSSFAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-2-17-7-9-18(10-8-17)13-16-15-12(19-13)11-5-3-4-6-14-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole has a molecular weight of 275.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 75450327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).