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

C11H11N3OS2 — CID 4141935

IUPAC2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(N)=O)n2)c1
InChIInChI=1S/C11H11N3OS2/c1-7-3-2-4-8(5-7)10-13-11(17-14-10)16-6-9(12)15/h2-5H,6H2,1H3,(H2,12,15)
InChIKeyYJKBPMDZCAMJDB-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.09
Rot. Bonds4

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

2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 4141935) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID4141935
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(N)=O)n2)c1
InChIInChI=1S/C11H11N3OS2/c1-7-3-2-4-8(5-7)10-13-11(17-14-10)16-6-9(12)15/h2-5H,6H2,1H3,(H2,12,15)
InChIKeyYJKBPMDZCAMJDB-UHFFFAOYSA-N
XLogP2.09
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 4569596
ethyl 4-[2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 3239257
N-cyclohexyl-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5175659
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 865377
5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole
CID 83901137
N-(3,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 7119341
5-(3-methylphenyl)-1,2,4-thiadiazole-3-carboxylic acid
CID 83889371
N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 7119260
5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7119384
N-(3-fluorophenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 3701243
2-[[5-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883543

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 4141935) is 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is Cc1cccc(-c2nsc(SCC(N)=O)n2)c1.
What is the InChIKey of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is YJKBPMDZCAMJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-7-3-2-4-8(5-7)10-13-11(17-14-10)16-6-9(12)15/h2-5H,6H2,1H3,(H2,12,15).
What are the key properties of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 2.09, 4 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]acetamide is sourced from PubChem (CID 4141935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).