N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C9H12N6OS2 — CID 767229

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1
InChIInChI=1S/C9H12N6OS2/c1-5(2)7-13-15-9(18-7)12-6(16)3-17-8-10-4-11-14-8/h4-5H,3H2,1-2H3,(H,10,11,14)(H,12,15,16)
InChIKeyQASQSLWSJCDMNN-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.51
Rot. Bonds5

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 767229) has the molecular formula C9H12N6OS2 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID767229
Molecular FormulaC9H12N6OS2
Molecular Weight284.37 g/mol
Exact Mass284.05
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1
InChIInChI=1S/C9H12N6OS2/c1-5(2)7-13-15-9(18-7)12-6(16)3-17-8-10-4-11-14-8/h4-5H,3H2,1-2H3,(H,10,11,14)(H,12,15,16)
InChIKeyQASQSLWSJCDMNN-UHFFFAOYSA-N
XLogP1.51
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 6492034
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651054
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2258276
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 4106605
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 975703
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 3540339
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 2215350
2-(5-Ethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 6492035
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 582165
2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1238478
2-[(4-Methyl-4H-1,2,4-triazol-3-YL)sulfanyl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-YL)acetamide
CID 712472
n-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1h-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 877797

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 767229) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CC(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is QASQSLWSJCDMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS2/c1-5(2)7-13-15-9(18-7)12-6(16)3-17-8-10-4-11-14-8/h4-5H,3H2,1-2H3,(H,10,11,14)(H,12,15,16).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 284.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 767229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).