2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C11H16N6OS2 — CID 1451382

IUPAC2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nnc(C(C)C)n2C)s1
InChIInChI=1S/C11H16N6OS2/c1-6(2)9-14-16-11(17(9)4)19-5-8(18)12-10-15-13-7(3)20-10/h6H,5H2,1-4H3,(H,12,15,18)
InChIKeyRVIXGWUPGSEBAF-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.83
Rot. Bonds5

About 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1451382) has the molecular formula C11H16N6OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1451382
Molecular FormulaC11H16N6OS2
Molecular Weight312.42 g/mol
Exact Mass312.08
IUPAC Name2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nnc(C(C)C)n2C)s1
InChIInChI=1S/C11H16N6OS2/c1-6(2)9-14-16-11(17(9)4)19-5-8(18)12-10-15-13-7(3)20-10/h6H,5H2,1-4H3,(H,12,15,18)
InChIKeyRVIXGWUPGSEBAF-UHFFFAOYSA-N
XLogP1.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-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-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1451382) is 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nnc(C(C)C)n2C)s1.
What is the InChIKey of 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RVIXGWUPGSEBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS2/c1-6(2)9-14-16-11(17(9)4)19-5-8(18)12-10-15-13-7(3)20-10/h6H,5H2,1-4H3,(H,12,15,18).
What are the key properties of 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 312.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1451382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).