N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C9H12N4O2S3 — CID 7614548

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCSc1nnc(NC(=O)CN2CCSC2=O)s1
InChIInChI=1S/C9H12N4O2S3/c1-2-16-8-12-11-7(18-8)10-6(14)5-13-3-4-17-9(13)15/h2-5H2,1H3,(H,10,11,14)
InChIKeyXCXOERFCEXYGIS-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.76
Rot. Bonds5

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 7614548) has the molecular formula C9H12N4O2S3 and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID7614548
Molecular FormulaC9H12N4O2S3
Molecular Weight304.42 g/mol
Exact Mass304.01
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCSc1nnc(NC(=O)CN2CCSC2=O)s1
InChIInChI=1S/C9H12N4O2S3/c1-2-16-8-12-11-7(18-8)10-6(14)5-13-3-4-17-9(13)15/h2-5H2,1H3,(H,10,11,14)
InChIKeyXCXOERFCEXYGIS-UHFFFAOYSA-N
XLogP1.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 7614548) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CCSc1nnc(NC(=O)CN2CCSC2=O)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is XCXOERFCEXYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S3/c1-2-16-8-12-11-7(18-8)10-6(14)5-13-3-4-17-9(13)15/h2-5H2,1H3,(H,10,11,14).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 7614548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).