2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C11H12N8OS2 — CID 3193194

IUPAC2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)s1
InChIInChI=1S/C11H12N8OS2/c1-2-6-18-19-11(22-6)15-5(20)3-21-10-16-7-8(12)13-4-14-9(7)17-10/h4H,2-3H2,1H3,(H,15,19,20)(H3,12,13,14,16,17)
InChIKeyQNEAOGIXWBSZKK-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.08
Rot. Bonds5

About 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3193194) has the molecular formula C11H12N8OS2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3193194
Molecular FormulaC11H12N8OS2
Molecular Weight336.41 g/mol
Exact Mass336.06
IUPAC Name2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)s1
InChIInChI=1S/C11H12N8OS2/c1-2-6-18-19-11(22-6)15-5(20)3-21-10-16-7-8(12)13-4-14-9(7)17-10/h4H,2-3H2,1H3,(H,15,19,20)(H3,12,13,14,16,17)
InChIKeyQNEAOGIXWBSZKK-UHFFFAOYSA-N
XLogP1.08
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide 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-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3193194) is 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)s1.
What is the InChIKey of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QNEAOGIXWBSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8OS2/c1-2-6-18-19-11(22-6)15-5(20)3-21-10-16-7-8(12)13-4-14-9(7)17-10/h4H,2-3H2,1H3,(H,15,19,20)(H3,12,13,14,16,17).
What are the key properties of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3193194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).