2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

C9H15N3O2S3 — CID 43502510

IUPAC2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CSCCO)n1
InChIInChI=1S/C9H15N3O2S3/c1-2-4-16-9-11-8(17-12-9)10-7(14)6-15-5-3-13/h13H,2-6H2,1H3,(H,10,11,12,14)
InChIKeyRSAPQPKJVWUOLU-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.70
Rot. Bonds8

About 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 43502510) has the molecular formula C9H15N3O2S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID43502510
Molecular FormulaC9H15N3O2S3
Molecular Weight293.44 g/mol
Exact Mass293.03
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CSCCO)n1
InChIInChI=1S/C9H15N3O2S3/c1-2-4-16-9-11-8(17-12-9)10-7(14)6-15-5-3-13/h13H,2-6H2,1H3,(H,10,11,12,14)
InChIKeyRSAPQPKJVWUOLU-UHFFFAOYSA-N
XLogP1.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (CID 43502510) is 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is CCCSc1nsc(NC(=O)CSCCO)n1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is RSAPQPKJVWUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S3/c1-2-4-16-9-11-8(17-12-9)10-7(14)6-15-5-3-13/h13H,2-6H2,1H3,(H,10,11,12,14).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 43502510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).