2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole

C15H14N8S2 — CID 108772850

IUPAC2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESc1csc(-c2nnc(N3CCN(c4ncnc5nc[nH]c45)CC3)s2)c1
InChIInChI=1S/C15H14N8S2/c1-2-10(24-7-1)14-20-21-15(25-14)23-5-3-22(4-6-23)13-11-12(17-8-16-11)18-9-19-13/h1-2,7-9H,3-6H2,(H,16,17,18,19)
InChIKeyJSNBOZWQXOHIBB-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.26
Rot. Bonds3

About 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole

2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole (PubChem CID 108772850) has the molecular formula C15H14N8S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole
PubChem CID108772850
Molecular FormulaC15H14N8S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC Name2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESc1csc(-c2nnc(N3CCN(c4ncnc5nc[nH]c45)CC3)s2)c1
InChIInChI=1S/C15H14N8S2/c1-2-10(24-7-1)14-20-21-15(25-14)23-5-3-22(4-6-23)13-11-12(17-8-16-11)18-9-19-13/h1-2,7-9H,3-6H2,(H,16,17,18,19)
InChIKeyJSNBOZWQXOHIBB-UHFFFAOYSA-N
XLogP2.26
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-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-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole (CID 108772850) is 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole is c1csc(-c2nnc(N3CCN(c4ncnc5nc[nH]c45)CC3)s2)c1.
What is the InChIKey of 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole?
The InChIKey is JSNBOZWQXOHIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8S2/c1-2-10(24-7-1)14-20-21-15(25-14)23-5-3-22(4-6-23)13-11-12(17-8-16-11)18-9-19-13/h1-2,7-9H,3-6H2,(H,16,17,18,19).
What are the key properties of 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole?
2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole has a molecular weight of 370.47 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 108772850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).