2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C17H15N3O2S2 — CID 2092314

IUPAC2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESC=CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C17H15N3O2S2/c1-2-9-23-17-20-19-16(24-17)18-15(21)11-22-14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10H,1,9,11H2,(H,18,19,21)
InChIKeyYVYPQEQPSCAECC-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.99
Rot. Bonds7

About 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2092314) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2092314
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC Name2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESC=CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C17H15N3O2S2/c1-2-9-23-17-20-19-16(24-17)18-15(21)11-22-14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10H,1,9,11H2,(H,18,19,21)
InChIKeyYVYPQEQPSCAECC-UHFFFAOYSA-N
XLogP3.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-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-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2092314) is 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is C=CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YVYPQEQPSCAECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-2-9-23-17-20-19-16(24-17)18-15(21)11-22-14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10H,1,9,11H2,(H,18,19,21).
What are the key properties of 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2092314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).