2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide

C19H19N3OS2 — CID 4571575

IUPAC2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)NCCc3ccccc3)n2)c1
InChIInChI=1S/C19H19N3OS2/c1-14-6-5-9-16(12-14)18-21-19(25-22-18)24-13-17(23)20-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyAJYKIHNHFYWKIA-UHFFFAOYSA-N
MW369.52 g/mol
LogP3.96
Rot. Bonds7

About 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide

2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 4571575) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID4571575
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)NCCc3ccccc3)n2)c1
InChIInChI=1S/C19H19N3OS2/c1-14-6-5-9-16(12-14)18-21-19(25-22-18)24-13-17(23)20-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyAJYKIHNHFYWKIA-UHFFFAOYSA-N
XLogP3.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide (CID 4571575) is 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide is Cc1cccc(-c2nsc(SCC(=O)NCCc3ccccc3)n2)c1.
What is the InChIKey of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is AJYKIHNHFYWKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-14-6-5-9-16(12-14)18-21-19(25-22-18)24-13-17(23)20-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 369.52 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4571575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).