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

C18H17N3OS2 — CID 7119408

IUPACN-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nsc(SCC(=O)NCc2ccccc2)n1
InChIInChI=1S/C18H17N3OS2/c1-13-7-5-6-10-15(13)17-20-18(24-21-17)23-12-16(22)19-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyOUAQYZRXPFHMOE-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.92
Rot. Bonds6

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

N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 7119408) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID7119408
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1ccccc1-c1nsc(SCC(=O)NCc2ccccc2)n1
InChIInChI=1S/C18H17N3OS2/c1-13-7-5-6-10-15(13)17-20-18(24-21-17)23-12-16(22)19-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyOUAQYZRXPFHMOE-UHFFFAOYSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetamido)acetate
CID 7119291
1-(Pyrrolidin-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
CID 3242714
N-benzyl-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2985157
N-(4-fluorobenzyl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571571
N-(4-fluorobenzyl)-2-((3-(p-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119350
2-[[3-(m-Tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-(1-piperidyl)ethanone
CID 4141813
N-[(2-chlorophenyl)methyl]-2-{[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
CID 4148860
N-phenethyl-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571575
N-cyclohexyl-2-((3-(o-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 6624174
2-((3-(p-Tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 6624208
1-(Piperidin-1-yl)-2-((3-(o-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
CID 7119372
2-((3-(o-Tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119375

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 7119408) is N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is Cc1ccccc1-c1nsc(SCC(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is OUAQYZRXPFHMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-13-7-5-6-10-15(13)17-20-18(24-21-17)23-12-16(22)19-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 355.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 7119408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).