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

C11H17N3OS2 — CID 7688610

IUPAC2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CC2CCCC2)s1
InChIInChI=1S/C11H17N3OS2/c1-2-16-11-14-13-10(17-11)12-9(15)7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyXQTJSXMMNVXXRD-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.17
Rot. Bonds5

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

2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 7688610) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID7688610
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CC2CCCC2)s1
InChIInChI=1S/C11H17N3OS2/c1-2-16-11-14-13-10(17-11)12-9(15)7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyXQTJSXMMNVXXRD-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 7688610) is 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CCSc1nnc(NC(=O)CC2CCCC2)s1.
What is the InChIKey of 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XQTJSXMMNVXXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-2-16-11-14-13-10(17-11)12-9(15)7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,12,13,15).
What are the key properties of 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 271.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 7688610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).