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

C8H9N5OS4 — CID 2055991

IUPAC2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCSc1nsc(SCC(=O)Nc2nnc(C)s2)n1
InChIInChI=1S/C8H9N5OS4/c1-4-11-12-6(17-4)9-5(14)3-16-8-10-7(15-2)13-18-8/h3H2,1-2H3,(H,9,12,14)
InChIKeyPZMQDJVNUXYIBB-UHFFFAOYSA-N
MW319.46 g/mol
LogP2.15
Rot. Bonds5

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

2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2055991) has the molecular formula C8H9N5OS4 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2055991
Molecular FormulaC8H9N5OS4
Molecular Weight319.46 g/mol
Exact Mass318.97
IUPAC Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCSc1nsc(SCC(=O)Nc2nnc(C)s2)n1
InChIInChI=1S/C8H9N5OS4/c1-4-11-12-6(17-4)9-5(14)3-16-8-10-7(15-2)13-18-8/h3H2,1-2H3,(H,9,12,14)
InChIKeyPZMQDJVNUXYIBB-UHFFFAOYSA-N
XLogP2.15
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2055991) is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CSc1nsc(SCC(=O)Nc2nnc(C)s2)n1.
What is the InChIKey of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PZMQDJVNUXYIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS4/c1-4-11-12-6(17-4)9-5(14)3-16-8-10-7(15-2)13-18-8/h3H2,1-2H3,(H,9,12,14).
What are the key properties of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 319.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2055991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).