5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole

C17H28N4S — CID 133494143

IUPAC5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(N2CCN(C3CC4CCC3C4)CC2)n1
InChIInChI=1S/C17H28N4S/c1-17(2,3)15-18-16(22-19-15)21-8-6-20(7-9-21)14-11-12-4-5-13(14)10-12/h12-14H,4-11H2,1-3H3
InChIKeySVZDIVMKJQWRFF-UHFFFAOYSA-N
MW320.51 g/mol
LogP3.15
Rot. Bonds2

About 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole

5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole (PubChem CID 133494143) has the molecular formula C17H28N4S and a molecular weight of 320.51 g/mol. Its IUPAC name is 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole
PubChem CID133494143
Molecular FormulaC17H28N4S
Molecular Weight320.51 g/mol
Exact Mass320.20
IUPAC Name5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(N2CCN(C3CC4CCC3C4)CC2)n1
InChIInChI=1S/C17H28N4S/c1-17(2,3)15-18-16(22-19-15)21-8-6-20(7-9-21)14-11-12-4-5-13(14)10-12/h12-14H,4-11H2,1-3H3
InChIKeySVZDIVMKJQWRFF-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-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 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole (CID 133494143) is 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole is CC(C)(C)c1nsc(N2CCN(C3CC4CCC3C4)CC2)n1.
What is the InChIKey of 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole?
The InChIKey is SVZDIVMKJQWRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4S/c1-17(2,3)15-18-16(22-19-15)21-8-6-20(7-9-21)14-11-12-4-5-13(14)10-12/h12-14H,4-11H2,1-3H3.
What are the key properties of 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole?
5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole has a molecular weight of 320.51 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-tert-butyl-1,2,4-thiadiazole is sourced from PubChem (CID 133494143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).