2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C5H7N3OS2 — CID 57163484

IUPAC2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCSc1nnc(CC(N)=O)s1
InChIInChI=1S/C5H7N3OS2/c1-10-5-8-7-4(11-5)2-3(6)9/h2H2,1H3,(H2,6,9)
InChIKeyWMAUQABCMWDLFN-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.29
Rot. Bonds3

About 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 57163484) has the molecular formula C5H7N3OS2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID57163484
Molecular FormulaC5H7N3OS2
Molecular Weight189.26 g/mol
Exact Mass189.00
IUPAC Name2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCSc1nnc(CC(N)=O)s1
InChIInChI=1S/C5H7N3OS2/c1-10-5-8-7-4(11-5)2-3(6)9/h2H2,1H3,(H2,6,9)
InChIKeyWMAUQABCMWDLFN-UHFFFAOYSA-N
XLogP0.29
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 57163484) is 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CSc1nnc(CC(N)=O)s1.
What is the InChIKey of 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WMAUQABCMWDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS2/c1-10-5-8-7-4(11-5)2-3(6)9/h2H2,1H3,(H2,6,9).
What are the key properties of 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 189.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 57163484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).