2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide

C17H15N3O2S2 — CID 3296613

IUPAC2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide
SMILESCOc1ccc(-c2nsc(SCC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O2S2/c1-22-14-9-7-12(8-10-14)16-19-17(24-20-16)23-11-15(21)18-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyLRFNZPBDALDQLD-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.94
Rot. Bonds6

About 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide

2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide (PubChem CID 3296613) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide
PubChem CID3296613
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC Name2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide
SMILESCOc1ccc(-c2nsc(SCC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O2S2/c1-22-14-9-7-12(8-10-14)16-19-17(24-20-16)23-11-15(21)18-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyLRFNZPBDALDQLD-UHFFFAOYSA-N
XLogP3.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide (CID 3296613) is 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide is COc1ccc(-c2nsc(SCC(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is LRFNZPBDALDQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-22-14-9-7-12(8-10-14)16-19-17(24-20-16)23-11-15(21)18-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide?
2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 357.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 3296613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).