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

C10H10N4OS3 — CID 666971

IUPAC2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESCSc1nsc(SCC(=O)Nc2ccccn2)n1
InChIInChI=1S/C10H10N4OS3/c1-16-9-13-10(18-14-9)17-6-8(15)12-7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H,11,12,15)
InChIKeyWPAAMWQTTRDUKR-UHFFFAOYSA-N
MW298.42 g/mol
LogP2.39
Rot. Bonds5

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

2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 666971) has the molecular formula C10H10N4OS3 and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID666971
Molecular FormulaC10H10N4OS3
Molecular Weight298.42 g/mol
Exact Mass298.00
IUPAC Name2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide
SMILESCSc1nsc(SCC(=O)Nc2ccccn2)n1
InChIInChI=1S/C10H10N4OS3/c1-16-9-13-10(18-14-9)17-6-8(15)12-7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H,11,12,15)
InChIKeyWPAAMWQTTRDUKR-UHFFFAOYSA-N
XLogP2.39
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide (CID 666971) is 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide is CSc1nsc(SCC(=O)Nc2ccccn2)n1.
What is the InChIKey of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is WPAAMWQTTRDUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS3/c1-16-9-13-10(18-14-9)17-6-8(15)12-7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H,11,12,15).
What are the key properties of 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide?
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 298.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 666971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).