2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

C20H21N3OS2 — CID 7119384

IUPAC2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3C)ns2)c(C)c1
InChIInChI=1S/C20H21N3OS2/c1-12-9-14(3)18(15(4)10-12)21-17(24)11-25-20-22-19(23-26-20)16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyMZHXPAATGQGHJJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.17
Rot. Bonds5

About 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7119384) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7119384
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC Name2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3C)ns2)c(C)c1
InChIInChI=1S/C20H21N3OS2/c1-12-9-14(3)18(15(4)10-12)21-17(24)11-25-20-22-19(23-26-20)16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyMZHXPAATGQGHJJ-UHFFFAOYSA-N
XLogP5.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 7119405
2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22519518
2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 4576947
N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 4148853
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 16806809
N-(4-methylphenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 4569596
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2670694
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone
CID 4148851
N-[5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CID 44956481
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34136028
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4211835
2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3688071

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 7119384) is 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3C)ns2)c(C)c1.
What is the InChIKey of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MZHXPAATGQGHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-12-9-14(3)18(15(4)10-12)21-17(24)11-25-20-22-19(23-26-20)16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 383.54 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7119384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).